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

*Links on SpectraBase are not permalinks.

2-Butenoic acid, 2-methyl-, 3-methyl-3-butenyl ester, (E)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-Butenoic acid, 2-methyl-, 3-methyl-3-butenyl ester, (E)-
SpectraBase Compound ID DN2SZwqmFi2
InChI InChI=1S/C10H16O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5H,2,6-7H2,1,3-4H3/b9-5+
InChIKey LMPCYQLIAVCCCL-WEVVVXLNSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 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 59I5YuL9heP
Name 2-Butenoic acid, 2-methyl-, 3-methyl-3-butenyl ester, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5H,2,6-7H2,1,3-4H3/b9-5+
InChIKey LMPCYQLIAVCCCL-WEVVVXLNSA-N
Molecular Weight 168.236 g/mol
SMILES C(\C(=C\C)C)(=O)OCCC(C)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978042