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

*Links on SpectraBase are not permalinks.
Pentanoic acid <3-methyl-, ethyl-> ester
SpectraBase Compound ID ClP4yK7Quv0
InChI InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3
InChIKey TXAWGHYFBQBVNK-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 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 6wOrdZP05El
Name Ethyl 3-methyl pentanoate
CAS Registry Number 5870-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3
InChIKey TXAWGHYFBQBVNK-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
SMILES C(C(OCC)=O)C(CC)C
SPLASH splash10-0006-9000000000-7c20b140d6398fd2abe5
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887355