| SpectraBase Spectrum ID |
DdmLhIZv5PI |
| Name |
3-ketocycloheptanecarboxylic acid methyl ester |
| Alternate Name(s) |
3-oxo-1-cycloheptanecarboxylic acid methyl ester
methyl 3-oxidanylidenecycloheptane-1-carboxylate
Methyl 3-oxocycloheptane-1-carboxylate
methyl 3-oxocycloheptanecarboxylate |
| CAS Registry Number |
37746-13-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-12-9(11)7-4-2-3-5-8(10)6-7/h7H,2-6H2,1H3 |
| InChIKey |
KNOYEWHQWMVNPM-UHFFFAOYSA-N |
| Molecular Weight |
170.208 g/mol |
| SMILES |
C(C1CC(=O)CCCC1)(=O)OC |
| SPLASH |
splash10-00di-0900000000-f472dd345ea8ecddbcca |
| Source of Spectrum |
C-110-2572-38 |
| Wiley ID |
1166579 |
