| SpectraBase Spectrum ID |
60TrrcFLknw |
| Name |
(2R,3S,4R)-4-(1-Bromo-1-methyl-ethyl)-3-nitro-2-phenyl-tetrahydro-furan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.031356376 u |
| Formula |
C13H16BrNO3 |
| InChI |
InChI=1S/C13H16BrNO3/c1-13(2,14)10-8-18-12(11(10)15(16)17)9-6-4-3-5-7-9/h3-7,10-12H,8H2,1-2H3/t10-,11-,12+/m0/s1 |
| InChIKey |
AMBZDLCEXINHBK-SDDRHHMPSA-N |
| Molecular Weight |
314.179 g/mol |
| SMILES |
[C@@]1(N(=O)=O)([C@](CO[C@@]1(C=1C=CC=CC1)[H])(C(Br)(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826691 |
