| SpectraBase Spectrum ID |
ErnIxS6MmOR |
| Name |
1,2-Azulenedicarboxylic acid, 3,8A-dihydro-3-methoxy-, dimethyl ester, cis-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.099773610 u |
| Formula |
C15H16O5 |
| InChI |
InChI=1S/C15H16O5/c1-18-13-10-8-6-4-5-7-9(10)11(14(16)19-2)12(13)15(17)20-3/h4-9,13H,1-3H3/t9-,13-/m1/s1 |
| InChIKey |
GVKZEIYSPDLQLR-NOZJJQNGSA-N |
| Molecular Weight |
276.288 g/mol |
| SMILES |
C1(=C([C@@]2(C=CC=CC=C2[C@]1(OC)[H])[H])C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858015 |
