| SpectraBase Spectrum ID |
2pJBiscH60q |
| Name |
(1R,2R)-2-Benzylamino-1-(4-nitrophenyl)-1,3-propanediol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.126657064 u |
| Formula |
C16H18N2O4 |
| InChI |
InChI=1S/C16H18N2O4/c19-11-15(17-10-12-4-2-1-3-5-12)16(20)13-6-8-14(9-7-13)18(21)22/h1-9,15-17,19-20H,10-11H2/t15-,16-/m1/s1 |
| InChIKey |
BIXRAHGLUFDSOD-HZPDHXFCSA-N |
| Molecular Weight |
302.330 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC([C@]([C@](NCC=2C=CC=CC2)(CO)[H])(O)[H])=CC1 |
