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1-(3',3'-Dihydroxyphenyl)octadec-13-en-5-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-(3',3'-Dihydroxyphenyl)octadec-13-en-5-one
SpectraBase Compound ID 7gT5R9AvBxK
InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-22(25)19-14-13-16-21-17-15-20-23(26)24(21)27/h5-6,15,17,20,26-27H,2-4,7-14,16,18-19H2,1H3/b6-5+
InChIKey ZGQAJXNDBULFDW-AATRIKPKSA-N
Mol Weight 374.6 g/mol
Molecular Formula C24H38O3
Exact Mass 374.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jRyzp9cecF
Name 1-(3',3'-Dihydroxyphenyl)octadec-13-en-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.282095081 u
Formula C24H38O3
InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-22(25)19-14-13-16-21-17-15-20-23(26)24(21)27/h5-6,15,17,20,26-27H,2-4,7-14,16,18-19H2,1H3/b6-5+
InChIKey ZGQAJXNDBULFDW-AATRIKPKSA-N
Molecular Weight 374.565 g/mol
SMILES C=1(C(O)=CC=CC1CCCCC(=O)CCCCCCC\C=C\CCCC)O