SpectraBase Spectrum ID |
4wtfXBzrWa0 |
Name |
1-Methyl-4-oxiranyl-trans-decahydroquinol-4-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
211.157228918 u |
Formula |
C12H21NO2 |
InChI |
InChI=1S/C12H21NO2/c1-13-7-6-12(14,11-8-15-11)9-4-2-3-5-10(9)13/h9-11,14H,2-8H2,1H3 |
InChIKey |
APKJETSTVWWRJF-UHFFFAOYSA-N |
Molecular Weight |
211.305 g/mol |
SMILES |
C1(O)(C2CO2)CCN(C)C2C1CCCC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876935 |