| SpectraBase Spectrum ID |
HB45LO3nHLF |
| Name |
6-acetyl-1-cyclohepta-1,3,5-trienecarboxylic acid ethyl ester |
| Alternate Name(s) |
6-acetylcyclohepta-1,3,5-triene-1-carboxylic acid ethyl ester
ethyl 6-acetylcyclohepta-1,3,5-triene-1-carboxylate
ethyl 6-ethanoylcyclohepta-1,3,5-triene-1-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O3 |
| InChI |
InChI=1S/C12H14O3/c1-3-15-12(14)11-7-5-4-6-10(8-11)9(2)13/h4-7H,3,8H2,1-2H3 |
| InChIKey |
OOBRWPBTOHVMFD-UHFFFAOYSA-N |
| Molecular Weight |
206.241 g/mol |
| SMILES |
C=1(C(=O)OCC)CC(C(=O)C)=CC=CC1 |
| SPLASH |
splash10-004i-0930000000-5a7658744400d80945a0 |
| Source of Spectrum |
AJ-68-3530-24 |
| Wiley ID |
773517 |
