SpectraBase Spectrum ID |
J6nxHsU2jAU |
Name |
2,3-Butanediamine, N-phenyl-, (R*,S*)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
164.131348523 u |
Formula |
C10H16N2 |
InChI |
InChI=1S/C10H16N2/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-9,12H,11H2,1-2H3/t8-,9+/m0/s1 |
InChIKey |
DNCCGPTYPOLIAX-DTWKUNHWSA-N |
Molecular Weight |
164.252 g/mol |
SMILES |
[C@@](NC=1C=CC=CC1)([C@@](N)(C)[H])(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967458 |