SpectraBase Spectrum ID |
LJT2SuKr66f |
Name |
Benzene, 1-methoxy-4-methyl-2-(2-methylcyclopropyl)-, cis- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
176.120115134 u |
Formula |
C12H16O |
InChI |
InChI=1S/C12H16O/c1-8-4-5-12(13-3)11(6-8)10-7-9(10)2/h4-6,9-10H,7H2,1-3H3/t9-,10+/m0/s1 |
InChIKey |
JSKYYXFRMCQFOS-VHSXEESVSA-N |
Molecular Weight |
176.259 g/mol |
SMILES |
[C@@]1(C[C@@]1(C)[H])(C=1C(=CC=C(C1)C)OC)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949292 |