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3-(4-hydroxyphenyl)propanoic acid octadecyl ester

View entire compound with spectra: 5 MS (GC)

3-(4-hydroxyphenyl)propanoic acid octadecyl ester
SpectraBase Compound ID 7I967ulU4X9
InChI InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-27(29)23-20-25-18-21-26(28)22-19-25/h18-19,21-22,28H,2-17,20,23-24H2,1H3
InChIKey OBYWBISWWBUSET-UHFFFAOYSA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46O3
Exact Mass 418.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy03frCM6oT
Name BENZENEPROPANOIC ACID, 4-HYDROXY-, OCTADECYL ESTER
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 418.344695338 u
Formula C27H46O3
InChI InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-27(29)23-20-25-18-21-26(28)22-19-25/h18-19,21-22,28H,2-17,20,23-24H2,1H3
InChIKey OBYWBISWWBUSET-UHFFFAOYSA-N
Molecular Weight 418.662 g/mol
Nominal Mass 418 u
Number of Peaks 123
SMILES C(CCCCCCCCCCCCCCCOC(CCc1ccc(O)cc1)=O)CC
SPLASH splash10-0avl-9800100000-69ed87f6358a5718015a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000098