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

*Links on SpectraBase are not permalinks.
2-Methyl-2-pentylmalonic acid
SpectraBase Compound ID H2kfuRK3aMf
InChI InChI=1S/C9H16O4/c1-3-4-5-6-9(2,7(10)11)8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKey CANYGGRYFRWAIN-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 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 2cDJzuH7Hk
Name 2-Methyl-2-pentylmalonic acid
CAS Registry Number 127839-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-3-4-5-6-9(2,7(10)11)8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKey CANYGGRYFRWAIN-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES OC(C(C(=O)O)(CCCCC)C)=O
SPLASH splash10-0gbc-9600000000-1c44746841cda2aff605
Synonyms 2-Amyl-2-methyl-malonic acid 2-Methyl-2-pentyl-propanedioic acid Malonic acid, 2-methyl-2-pentyl-
Wiley ID 1491267