| SpectraBase Spectrum ID |
8rTlYWdfNTx |
| Name |
(2S*,3S*)-1,3-Diphenyl-2-methyl-4-nitro-1-butanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.120843408 u |
| Formula |
C17H17NO3 |
| InChI |
InChI=1S/C17H17NO3/c1-13(17(19)15-10-6-3-7-11-15)16(12-18(20)21)14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16-/m0/s1 |
| InChIKey |
FVCULXKBOZLKOI-BBRMVZONSA-N |
| SMILES |
C(N(=O)=O)[C@@]([C@@](C(=O)C=1C=CC=CC1)(C)[H])(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869779 |
