| SpectraBase Spectrum ID |
DjgdCJRusXQ |
| Name |
Methyl cycloheptatriene-7-carboxylate |
| CAS Registry Number |
32399-46-5 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
150.068079560 u |
| Formula |
C9H10O2 |
| InChI |
InChI=1S/C9H10O2/c1-11-9(10)8-6-4-2-3-5-7-8/h2-8H,1H3 |
| InChIKey |
KBZSIBZTASZFGF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
150.177 g/mol |
| Nominal Mass |
150 u |
| Quality |
987 |
| Retention Index |
1083 |
| SMILES |
C1(C(OC)=O)C=CC=CC=C1 |
| SPLASH |
splash10-0006-9200000000-e72a07a170c9108e30a5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl cyclohepta-2,4,6-triene-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005286 |
