SpectraBase Spectrum ID |
KwJMa3pbj3S |
Name |
3',3'-Dimethylspiro[cyclopropane-1,1'-indan]-2'-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
188.120115134 u |
Formula |
C13H16O |
InChI |
InChI=1S/C13H16O/c1-12(2)9-5-3-4-6-10(9)13(7-8-13)11(12)14/h3-6,11,14H,7-8H2,1-2H3 |
InChIKey |
AQYKPWVGDAPSIR-UHFFFAOYSA-N |
Molecular Weight |
188.270 g/mol |
SMILES |
C12(C(C(C)(C)C3=C2C=CC=C3)O)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836446 |