For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Rocellaric acid
SpectraBase Compound ID Egk9GiOluHb
InChI InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h15-17H,3-14H2,1-2H3,(H,20,21)
InChIKey WLGALFYTFVOQPY-UHFFFAOYSA-N
Mol Weight 326.5 g/mol
Molecular Formula C19H34O4
Exact Mass 326.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EdWLzcfCIqK
Name Rocellaric acid
Alternate Name(s) 2-Oxo-3-methyl-5-tridecyl-tetrahydrofuran-4-carboxylic acid 4-Methyl-5-oxo-2-tridecyltetrahydro-3-furancarboxylic acid Dihydroprotolichesterinic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H34O4
InChI InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h15-17H,3-14H2,1-2H3,(H,20,21)
InChIKey WLGALFYTFVOQPY-UHFFFAOYSA-N
Molecular Weight 326.477 g/mol
SMILES OC(C1C(C(OC1CCCCCCCCCCCCC)=O)C)=O
SPLASH splash10-0536-9220000000-ee5162ccc4e563a3b690
Source of Spectrum H-85-3810-15
Wiley ID 1525076