| SpectraBase Spectrum ID |
JsCbimrMWXH |
| Name |
5,9-Methano-5H-benzocycloheptene, propanedioic acid deriv. |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.162373868 u |
| Formula |
C20H24O5 |
| InChI |
InChI=1S/C20H24O5/c1-3-24-19(22)18(20(23)25-4-2)11-17-15-9-12(21)10-16(17)14-8-6-5-7-13(14)15/h5-8,15-18H,3-4,9-11H2,1-2H3/t15-,16+,17? |
| InChIKey |
HCGYJQBUWDEVBA-SJPCQFCGSA-N |
| Molecular Weight |
344.407 g/mol |
| SMILES |
C1([C@@]2(C=3C=CC=CC3[C@]1(CC(=O)C2)[H])[H])CC(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900333 |
