| SpectraBase Spectrum ID |
KTEvHyiRIg1 |
| Name |
Methyl (E)-3-(3,4,6-trimethoxy-8-methoxycarbonyl-5-oxo-5H-benzocyclohepten-1-yl)-2-propenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.115817596 u |
| Formula |
C20H20O8 |
| InChI |
InChI=1S/C20H20O8/c1-24-14-10-12(20(23)28-5)8-13-11(6-7-16(21)26-3)9-15(25-2)19(27-4)17(13)18(14)22/h6-10H,1-5H3/b7-6+ |
| InChIKey |
WUXORWKYRRJJQL-VOTSOKGWSA-N |
| Molecular Weight |
388.372 g/mol |
| SMILES |
C=12C(C=C(C(=O)OC)C=C(C2=O)OC)=C(\C=C\C(=O)OC)C=C(C1OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961427 |
