| SpectraBase Spectrum ID |
1uISQMM7CC2 |
| Name |
(3-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)14-17-12-11-16(13-17)10-9-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3 |
| InChIKey |
HWYYZJSXTDCNGI-UHFFFAOYSA-N |
| Molecular Weight |
286.415 g/mol |
| SMILES |
C(OC(C)(C)C)(CC1=CC(CCC2=CC=CC=C2)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9636 |
