| SpectraBase Spectrum ID |
6929raL82ze |
| Name |
cis-1-Benzyl-6-hydroxy-5-phenyl-1-Aza-4-thiacycloheptan-2-one |
| Alternate Name(s) |
(6R,7R)-4-benzyl-6-hydroxy-7-phenyltetrahydro-1,4-thiazepin-3(2H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19NO2S |
| InChI |
InChI=1S/C18H19NO2S/c20-16-12-19(11-14-7-3-1-4-8-14)17(21)13-22-18(16)15-9-5-2-6-10-15/h1-10,16,18,20H,11-13H2/t16-,18-/m1/s1 |
| InChIKey |
WDFRTRKLCNACAH-SJLPKXTDSA-N |
| Molecular Weight |
313.415 g/mol |
| SMILES |
O[C@@]1(CN(C(CS[C@@]1(c1ccccc1)[H])=O)Cc1ccccc1)[H] |
| SPLASH |
splash10-03di-2009000000-76a4ef35384ef5ae3505 |
| Source of Spectrum |
H1-48-1526-2 |
| Wiley ID |
816565 |
