| SpectraBase Spectrum ID |
2oTwat0CK0E |
| Name |
4-(2-Methoxycarbonylphenylmethyl)-4H-1,4-benzothiazine-2-carbonitrile |
| Alternate Name(s) |
methyl 2-[(2-cyano-4H-1,4-benzothiazin-4-yl)methyl]benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H14N2O2S |
| InChI |
InChI=1S/C18H14N2O2S/c1-22-18(21)15-7-3-2-6-13(15)11-20-12-14(10-19)23-17-9-5-4-8-16(17)20/h2-9,12H,11H2,1H3 |
| InChIKey |
RZQJDUIJKLSFLT-UHFFFAOYSA-N |
| Molecular Weight |
322.382 g/mol |
| SMILES |
C=1(Sc2c(N(C1)Cc1c(cccc1)C(=O)OC)cccc2)C#N |
| SPLASH |
splash10-00di-0902000000-3a2b8a423d290957f5f2 |
| Source of Spectrum |
SO-0-1080-2 |
| Wiley ID |
1611984 |
