SpectraBase Spectrum ID |
HxJCqyECT1O |
Name |
(1R,2S)-cis-1-[N-(2(S)-Amino-1-oxo-3-phenyl)propyl]amino-2-hydroxy-1,2,3,4-tetrahydronaphthalene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
310.168127954 u |
Formula |
C19H22N2O2 |
InChI |
InChI=1S/C19H22N2O2/c20-16(12-13-6-2-1-3-7-13)19(23)21-18-15-9-5-4-8-14(15)10-11-17(18)22/h1-9,16-18,22H,10-12,20H2,(H,21,23)/t16-,17-,18+/m0/s1 |
InChIKey |
YVRURIURUIUWBY-OKZBNKHCSA-N |
Molecular Weight |
310.397 g/mol |
SMILES |
[C@]1(NC([C@](CC=2C=CC=CC2)(N)[H])=O)(C2=C(C=CC=C2)CC[C@@]1(O)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882698 |