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

*Links on SpectraBase are not permalinks.

(2S,5R)-2-Isopropyl-5-methylhept-6-enoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2S,5R)-2-Isopropyl-5-methylhept-6-enoic acid
SpectraBase Compound ID 6OkaylViUhi
InChI InChI=1S/C11H20O2/c1-5-9(4)6-7-10(8(2)3)11(12)13/h5,8-10H,1,6-7H2,2-4H3,(H,12,13)/t9-,10-/m0/s1
InChIKey DFDLPBWPPLARKR-UWVGGRQHSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 5mgBjFt1FdG
Name (2S,5R)-2-Isopropyl-5-methylhept-6-enoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.146329882 u
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-5-9(4)6-7-10(8(2)3)11(12)13/h5,8-10H,1,6-7H2,2-4H3,(H,12,13)/t9-,10-/m0/s1
InChIKey DFDLPBWPPLARKR-UWVGGRQHSA-N
Molecular Weight 184.279 g/mol
SMILES C([C@@](CC[C@](C=C)(C)[H])(C(C)C)[H])(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950842