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 |