| SpectraBase Spectrum ID |
201EEB4kAWD |
| Name |
Cyclopentanecarboxylic acid,3-butoxy-4-(1-methylethenyl)-,1,1-dimethylethyl ester (1.alpha.,3.beta.,4.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.219494823 u |
| Formula |
C17H30O3 |
| InChI |
InChI=1S/C17H30O3/c1-7-8-9-19-15-11-13(10-14(15)12(2)3)16(18)20-17(4,5)6/h13-15H,2,7-11H2,1,3-6H3/t13-,14-,15+/m0/s1 |
| InChIKey |
UMVLBCVLBLBLJO-SOUVJXGZSA-N |
| SMILES |
C([C@]1(C[C@@](C(=C)C)([C@@](C1)(OCCCC)[H])[H])[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812137 |
