SpectraBase Spectrum ID |
38VcLRwx6M6 |
Name |
Cyclohexanespiro-2'-bicyclo[1.1.0]butane-4'-spirocyclohexane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
190.172150708 u |
Formula |
C14H22 |
InChI |
InChI=1S/C14H22/c1-3-7-13(8-4-1)11-12(13)14(11)9-5-2-6-10-14/h11-12H,1-10H2 |
InChIKey |
HOFAHJZSJNGPHD-UHFFFAOYSA-N |
Molecular Weight |
190.330 g/mol |
SMILES |
C12C(C22CCCCC2)C11CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968923 |