| SpectraBase Spectrum ID |
FN8gkdKTY8I |
| Name |
(5R,6S)-6-Benzoyl-2-methylsulfinyl-5-phenyl-5,6-dihydro-4H-1,3,4-thiadiazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.065320109 u |
| Formula |
C17H16N2O2S2 |
| InChI |
InChI=1S/C17H16N2O2S2/c1-23(21)17-19-18-14(12-8-4-2-5-9-12)16(22-17)15(20)13-10-6-3-7-11-13/h2-11,14,16,18H,1H3/t14-,16+,23?/m1/s1 |
| InChIKey |
ABXJZEZBFPJIPS-MNJWVGMUSA-N |
| Molecular Weight |
344.447 g/mol |
| SMILES |
C=1(S[C@@](C(=O)C2=CC=CC=C2)([H])[C@](NN1)(C=1C=CC=CC1)[H])S(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944583 |
