SpectraBase Spectrum ID |
CQh7S3gth6l |
Name |
Valenc-1(10)-ene-8,11-diol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
238.193280075 u |
Formula |
C15H26O2 |
InChI |
InChI=1S/C15H26O2/c1-10-13(16)8-7-11-5-6-12(14(2,3)17)9-15(10,11)4/h7,10,12-13,16-17H,5-6,8-9H2,1-4H3 |
InChIKey |
OECKIHHRAZFCMR-UHFFFAOYSA-N |
Molecular Weight |
238.371 g/mol |
SMILES |
C12(C(=CCC(C2C)O)CCC(C1)C(O)(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850832 |