| SpectraBase Spectrum ID |
A0CnSMDTYaL |
| Name |
(1S,2S,3S)-2-Methyl-3-phenacyl-1-cyclopropanecarboxylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.156894565 u |
| Formula |
C17H22O3 |
| InChI |
InChI=1S/C17H22O3/c1-11-13(15(11)16(19)20-17(2,3)4)10-14(18)12-8-6-5-7-9-12/h5-9,11,13,15H,10H2,1-4H3/t11-,13-,15-/m0/s1 |
| InChIKey |
KXRJTWAFZCUPCU-WHOFXGATSA-N |
| Molecular Weight |
274.360 g/mol |
| SMILES |
[C@@]1([C@](C(OC(C)(C)C)=O)([H])[C@]1(C)[H])(CC(=O)C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800483 |
