SpectraBase Spectrum ID |
Ii1F8fHA83e |
Name |
4-(1'-Methylethylidene)-3-propoxy-1-methylcyclohexane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
196.182715392 u |
Formula |
C13H24O |
InChI |
InChI=1S/C13H24O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h11,13H,5-9H2,1-4H3 |
InChIKey |
XYTFYFNDFNDJTC-UHFFFAOYSA-N |
Molecular Weight |
196.334 g/mol |
SMILES |
C1(C(CC(CC1)C)OCCC)=C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906112 |