| SpectraBase Spectrum ID |
5kx3CdELtc4 |
| Name |
Perhydrobenzo[A]cycloheptene-6,8-dicarboxylic acid, perhydro-7-oxo-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.178023932 u |
| Formula |
C17H26O5 |
| InChI |
InChI=1S/C17H26O5/c1-3-21-16(19)13-9-11-7-5-6-8-12(11)10-14(15(13)18)17(20)22-4-2/h11-14H,3-10H2,1-2H3 |
| InChIKey |
MLWCQJSJZICVMV-UHFFFAOYSA-N |
| Molecular Weight |
310.390 g/mol |
| SMILES |
C(=O)(C1C(C(CC2C(CCCC2)C1)C(=O)OCC)=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918075 |
![Perhydrobenzo[a]cycloheptene-6,8-dicarboxylic acid, perhydro-7-oxo-, diethyl ester](/api/spectrum/5kx3CdELtc4/structure.png?h=300&w=458 "Perhydrobenzo[a]cycloheptene-6,8-dicarboxylic acid, perhydro-7-oxo-, diethyl ester")
