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

*Links on SpectraBase are not permalinks.
(+-)-erythro-Roccellic acid
SpectraBase Compound ID TAoMdhKYIk
InChI InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21)
InChIKey CADNMISJDLVPCK-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C17H32O4
Exact Mass 300.23006 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 36iqEXQJ37t
Name (+-)-erythro-Roccellic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O4
InChI InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21)
InChIKey CADNMISJDLVPCK-UHFFFAOYSA-N
Molecular Weight 300.439 g/mol
SMILES OC(C(C(C(=O)O)C)CCCCCCCCCCCC)=O
SPLASH splash10-00ls-9410000000-11d526177e8ac4fb7ca5
Source of Spectrum K-2001-1766-9
Synonyms 2-Dodecyl-3-methylbutanedioic acid 2-Dodecyl-3-methyl-butanedioic acid
Wiley ID 1579303