| SpectraBase Spectrum ID |
6NtZb6eZIbL |
| Name |
2-Methoxycarbonylmethyl-3-methylcyclopentanecarboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.120509056 u |
| Formula |
C11H18O4 |
| InChI |
InChI=1S/C11H18O4/c1-7-4-5-8(11(13)15-3)9(7)6-10(12)14-2/h7-9H,4-6H2,1-3H3 |
| InChIKey |
ZULKTZQXJFPVGH-UHFFFAOYSA-N |
| Molecular Weight |
214.261 g/mol |
| SMILES |
C(=O)(OC)CC1C(C)CCC1C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90664 |
