SpectraBase Spectrum ID |
HOxfxJywLOp |
Name |
4-(5-Pentyl-3A,4,7,7A-tetrahydro-4-indanyl)butanoic acid, methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
292.240230268 u |
Formula |
C19H32O2 |
InChI |
InChI=1S/C19H32O2/c1-3-4-5-8-15-13-14-16-9-6-10-17(16)18(15)11-7-12-19(20)21-2/h13,16-18H,3-12,14H2,1-2H3 |
InChIKey |
QICYXSKJIVJXOJ-UHFFFAOYSA-N |
SMILES |
C1=C(C(CCCC(OC)=O)C2C(C1)CCC2)CCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925827 |