| SpectraBase Spectrum ID |
78GYdyMevnr |
| Name |
(2R,3R)-2-Hydroxy-3-(3-nitro-phenyl)-indan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.068807834 u |
| Formula |
C15H11NO4 |
| InChI |
InChI=1S/C15H11NO4/c17-14-12-7-2-1-6-11(12)13(15(14)18)9-4-3-5-10(8-9)16(19)20/h1-8,13,15,18H/t13-,15-/m1/s1 |
| InChIKey |
IFCMGERNMYZYBS-UKRRQHHQSA-N |
| SMILES |
C1([C@@]([C@](C2=CC(N(=O)=O)=CC=C2)(C2=C1C=CC=C2)[H])(O)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829944 |
