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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 335Z8aQdYWK
Name 3-(4-hydroxyphenyl)propanoic acid octadecyl ester
Alternate Name(s) 3-(4-hydroxyphenyl)propionic acid stearyl ester Octadecyl 3-(4'-hydroxyphenyl)propanoate Octadecyl 3-(4-hydroxyphenyl)propanoate
CAS Registry Number 42933-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES Oc1ccc(CCC(OCCCCCCCCCCCCCCCCCC)=O)cc1
SPLASH splash10-0avl-9800200000-c1d57aeaab0d6d501678
Source of Spectrum JZ-1992-3448-0
Wiley ID 1377449