SpectraBase Spectrum ID |
HsifbND0JWZ |
Name |
Benzene, 1,4-bis(1-hydroxy-2-propyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
194.130679818 u |
Formula |
C12H18O2 |
InChI |
InChI=1S/C12H18O2/c1-9(7-13)11-3-5-12(6-4-11)10(2)8-14/h3-6,9-10,13-14H,7-8H2,1-2H3 |
InChIKey |
RGKHKGGVUFXSMU-UHFFFAOYSA-N |
Molecular Weight |
194.274 g/mol |
SMILES |
CC(CO)C1=CC=C(C(CO)C)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957491 |