| SpectraBase Spectrum ID |
BdUnpVtfO9n |
| Name |
(4A,8A-cis) 8A-Methoxycarbonyl-8A-methoxycarbonylmethyl-1,2,4A,5,8,8A-hexahydronaphthalene-1,2-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.102513261 u |
| Formula |
C15H17O6 |
| InChI |
InChI=1S/C15H17O6/c1-20-12(17)9-15(14(19)21-2)8-4-3-5-10(15)6-7-11(16)13(15)18/h3-4,6-7,10H,5,8-9H2,1-2H3 |
| InChIKey |
BBMKCINKWRFBIO-UHFFFAOYSA-N |
| Molecular Weight |
293.295 g/mol |
| Nominal Mass |
293 u |
| SMILES |
C1(C(C=CC2CC=CC[C]12(CC(=O)OC)C(=O)OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957918 |
