| SpectraBase Spectrum ID |
712jSDxFRmu |
| Name |
(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl) ethanoate |
| Alternate Name(s) |
(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl) acetate
acetic acid (4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl) ester
acetic acid (4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl) ester |
| CAS Registry Number |
139564-96-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H11NO3S |
| InChI |
InChI=1S/C11H11NO3S/c1-7(13)15-9-6-16-10-5-3-2-4-8(10)12-11(9)14/h2-5,9H,6H2,1H3,(H,12,14) |
| InChIKey |
FRLMHBFBAZFMAB-UHFFFAOYSA-N |
| Molecular Weight |
237.273 g/mol |
| SMILES |
N1c2c(SCC(C1=O)OC(=O)C)cccc2 |
| SPLASH |
splash10-004i-0910000000-3e3d443c0b09f948d80e |
| Source of Spectrum |
U-1992-405-7 |
| Wiley ID |
764182 |
