| SpectraBase Spectrum ID |
ACo1bdGSoFA |
| Name |
1,1-Cyclopentanedicarboxylic acid, 3-benzoyl-4-(2-methoxy-2-oxoethyl)-, dimethyl ester, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.136553041 u |
| Formula |
C19H22O7 |
| InChI |
InChI=1S/C19H22O7/c1-24-15(20)9-13-10-19(17(22)25-2,18(23)26-3)11-14(13)16(21)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14-/m0/s1 |
| InChIKey |
HECUVDNCTPHJAA-KBPBESRZSA-N |
| Molecular Weight |
362.378 g/mol |
| SMILES |
C1(C[C@](C(=O)C2=CC=CC=C2)([C@](C1)(CC(=O)OC)[H])[H])(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856024 |
