| SpectraBase Spectrum ID |
4hZeeVFFKW1 |
| Name |
1H-Cyclopropa[B]naphthalene-1,1-dicarboxylic acid, 1A,2,3,6,7,7A-hexahydro-, monoethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.120509056 u |
| Formula |
C15H18O4 |
| InChI |
InChI=1S/C15H18O4/c1-2-19-14(18)15(13(16)17)11-7-9-5-3-4-6-10(9)8-12(11)15/h3-4,11-12H,2,5-8H2,1H3,(H,16,17) |
| InChIKey |
FEZGSULXVQAFJG-UHFFFAOYSA-N |
| Molecular Weight |
262.305 g/mol |
| SMILES |
C1(C2CC=3CC=CCC3CC12)(C(=O)O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945353 |
![1H-Cyclopropa[b]naphthalene-1,1-dicarboxylic acid, 1a,2,3,6,7,7a-hexahydro-, monoethyl ester](/api/spectrum/4hZeeVFFKW1/structure.png?h=300&w=458 "1H-Cyclopropa[b]naphthalene-1,1-dicarboxylic acid, 1a,2,3,6,7,7a-hexahydro-, monoethyl ester")
