| SpectraBase Spectrum ID |
JHN3AUGV4ML |
| Name |
(R*,S*)-Methyl 2-phenyl-1-methoxycarbonylmethylcyclopropane-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-17-12(15)9-14(13(16)18-2)8-11(14)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-,14+/m0/s1 |
| InChIKey |
PQDXBGBTQPZTLP-SMDDNHRTSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
[C@@]1([C@](C=2C=CC=CC2)(C1)[H])(C(=O)OC)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974057 |
