| SpectraBase Spectrum ID |
4M79AG3wMS4 |
| Name |
(4a,8a-cis) 8a-methoxycarbonyl-8a-methoxycarbonylmethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1,2-dione |
| Comments |
Note: The molecular formula of the structure shown is C15H17O6 - which differs from the formula reported for the mass spectrum (C15H16O6) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H16O6 |
| 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 |
| SMILES |
C1(C(C=CC2CC=CC[C]12(CC(=O)OC)C(=O)OC)=O)=O |
| SPLASH |
splash10-0udi-4960000000-a965ef9e413a46e714f1 |
| Source of Spectrum |
JA-50-271-0 |
| Synonyms |
(4a,8a-cis) 8a-methoxycarbonyl-1,2,4a,5,8,8a-hexahydronaphthalene-1,2-dione |
| Wiley ID |
1295222 |
