| SpectraBase Spectrum ID |
EQedakyX1qj |
| Name |
Methyl 1,2,3,4,9,10-hexahydro-1-methyl-4-oxobenz[F]azulene-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.125594437 u |
| Formula |
C17H18O3 |
| InChI |
InChI=1S/C17H18O3/c1-17(16(19)20-2)10-9-13-14(17)8-7-11-5-3-4-6-12(11)15(13)18/h3-6H,7-10H2,1-2H3 |
| InChIKey |
MCYYVMYTNDTDMZ-UHFFFAOYSA-N |
| SMILES |
C12=C(C(C(=O)OC)(C)CC2)CCC=2C(C1=O)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900771 |
![Methyl 1,2,3,4,9,10-Hexahydro-1-methyl-4-oxobenz[f]azulene-1-carboxylate](/api/spectrum/EQedakyX1qj/structure.png?h=300&w=458 "Methyl 1,2,3,4,9,10-Hexahydro-1-methyl-4-oxobenz[f]azulene-1-carboxylate")
