HEPTANOPHENONE(1671-75-6) IR1
Product NameHEPTANOPHENONE
CAS1671-75-6
Molecular FormulaC13H18O
Molecular Weight190.28
InChIInChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey UXMQORVHJMUQFD-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(=O)CCCCCC
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Assign. Shift(ppm)
A 7.95 B 7.52 C 7.48 D 2.95 E 1.74 F 1.55 to 1.15 G 0.90Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
200.26 246 1 137.18 224 2 132.79 388 3 128.50 973 4 * 128.02 1000 5 * 38.53 486 6 31.68 421 7 29.03 410 8 24.31 454 9 22.54 383 10 14.00 366 11Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
