| SpectraBase Spectrum ID |
AYQL0iU66sE |
| Name |
3-(4'-Bromophenyl)-2,3-dihydro-1,4-benzothiazepin-5(4H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H12BrNOS |
| InChI |
InChI=1S/C15H12BrNOS/c16-11-7-5-10(6-8-11)13-9-19-14-4-2-1-3-12(14)15(18)17-13/h1-8,13H,9H2,(H,17,18) |
| InChIKey |
JJLDPPDUCVUTJF-UHFFFAOYSA-N |
| Molecular Weight |
334.231 g/mol |
| SMILES |
N1C(CSc2c(C1=O)cccc2)c1ccc(cc1)Br |
| SPLASH |
splash10-0002-0908000000-14f64c7c571a8739fb5f |
| Source of Spectrum |
SK-25-1507-5 |
| Synonyms |
3-(4-bromophenyl)-3,4-dihydro-1,4-benzothiazepin-5(2H)-one |
| Wiley ID |
866684 |
