| SpectraBase Spectrum ID |
IzQ2MOLzzBR |
| Name |
(5-Phenethyl-cyclopent-1-enyl)-acetic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.193280075 u |
| Formula |
C19H26O2 |
| InChI |
InChI=1S/C19H26O2/c1-19(2,3)21-18(20)14-17-11-7-10-16(17)13-12-15-8-5-4-6-9-15/h4-6,8-9,11,16H,7,10,12-14H2,1-3H3 |
| InChIKey |
DWVAAPKTYMHWGF-UHFFFAOYSA-N |
| Molecular Weight |
286.415 g/mol |
| SMILES |
C=1(CC(OC(C)(C)C)=O)C(CCC2=CC=CC=C2)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935178 |
