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

*Links on SpectraBase are not permalinks.
(R)-(+)-4-(N-butyl)hexa-1,4,5-trien-3-yl acetate
SpectraBase Compound ID IluDCqUSwyz
InChI InChI=1S/C12H18O2/c1-5-8-9-11(6-2)12(7-3)14-10(4)13/h7,12H,2-3,5,8-9H2,1,4H3/t12-/m1/s1
InChIKey QVYZGSRXTQSAJM-GFCCVEGCSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID M5vwtlPP7f
Name (R)-(+)-4-(N-butyl)hexa-1,4,5-trien-3-yl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-5-8-9-11(6-2)12(7-3)14-10(4)13/h7,12H,2-3,5,8-9H2,1,4H3/t12-/m1/s1
InChIKey QVYZGSRXTQSAJM-GFCCVEGCSA-N
Molecular Weight 194.274 g/mol
SMILES C(=C=C)([C@](OC(=O)C)(C=C)[H])CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90085