| SpectraBase Spectrum ID |
KVpK7GigDIe |
| Name |
Trans-3-carboxymethyl-4-vinyl-cyclopentane-1,1-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.110338294 u |
| Formula |
C13H18O6 |
| InChI |
InChI=1S/C13H18O6/c1-4-8-6-13(11(16)18-2,12(17)19-3)7-9(8)5-10(14)15/h4,8-9H,1,5-7H2,2-3H3,(H,14,15)/t8-,9-/m1/s1 |
| InChIKey |
WECGZBGPECSOCQ-RKDXNWHRSA-N |
| Molecular Weight |
270.281 g/mol |
| SMILES |
C1(C[C@@](CC(=O)O)([C@@](C1)(C=C)[H])[H])(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934883 |
