| SpectraBase Spectrum ID |
GyJFJhgTdOr |
| Name |
1-Benzoxepin-2-carboxylic acid, 2,3,4,5-tetrahydro-3-oxo-, ethyl ester |
| Alternate Name(s) |
Ethyl 3-oxo-2,3,4,5-tetrahydro-1-benzoxepin-2-carboxylate
Ethyl 3-oxo-2,3,4,5-tetrahydrobenzoxepin-2-carboxylate |
| CAS Registry Number |
21503-10-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-2-16-13(15)12-10(14)8-7-9-5-3-4-6-11(9)17-12/h3-6,12H,2,7-8H2,1H3 |
| InChIKey |
UXNPYQXHLTZHNR-UHFFFAOYSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
C1(Oc2c(cccc2)CCC1=O)C(=O)OCC |
| SPLASH |
splash10-00ea-0910000000-d138dfd7f6ad75e74c8f |
| Source of Spectrum |
KC-1989-728-21 |
| Wiley ID |
1235922 |
