| SpectraBase Spectrum ID |
GRMj0T064SB |
| Name |
2H-1,4-Benzoxazine-2-carboxylic acid, 3-(methylthio)-, ethyl ester |
| CAS Registry Number |
121583-20-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO3S |
| InChI |
InChI=1S/C12H13NO3S/c1-3-15-12(14)10-11(17-2)13-8-6-4-5-7-9(8)16-10/h4-7,10H,3H2,1-2H3 |
| InChIKey |
AFRQYCLTPUMPCH-UHFFFAOYSA-N |
| Molecular Weight |
251.300 g/mol |
| SMILES |
C1(C(=Nc2c(O1)cccc2)SC)C(=O)OCC |
| SPLASH |
splash10-004i-0940000000-f54a6946a9bea018e5d9 |
| Source of Spectrum |
AH-119-1443-10 |
| Synonyms |
ethyl 3-(methylsulfanyl)-2H-1,4-benzoxazine-2-carboxylate
Ethyl 3-methylthio-2H-1,4-benzoxazine-2-carboxylate |
| Wiley ID |
1254377 |
