SpectraBase Spectrum ID |
IjYOFJbiyam |
Name |
(2S)-2-Benzylideneamino-3-methylbutan-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
191.131014170 u |
Formula |
C12H17NO |
InChI |
InChI=1S/C12H17NO/c1-10(2)12(9-14)13-8-11-6-4-3-5-7-11/h3-8,10,12,14H,9H2,1-2H3/b13-8+/t12-/m1/s1 |
InChIKey |
OGQZBDRRMKWHTQ-FMNNIJNLSA-N |
Molecular Weight |
191.274 g/mol |
SMILES |
C=1(\C=N\[C@@](C(C)C)(CO)[H])C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902637 |