SpectraBase Compound ID | 88eXyVZImx8 |
---|---|
InChI | InChI=1S/C14H18/c1-14(2,13-10-6-7-11-13)12-8-4-3-5-9-12/h3-6,8-10,13H,7,11H2,1-2H3 |
InChIKey | MOBOIGWHJVXBLI-UHFFFAOYSA-N |
Mol Weight | 186.3 g/mol |
Molecular Formula | C14H18 |
Exact Mass | 186.140851 g/mol |
SpectraBase Spectrum ID | BExnrvFyjxH |
---|---|
Name | 3-Cumylcyclopentene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 186.140850580 u |
Formula | C14H18 |
InChI | InChI=1S/C14H18/c1-14(2,13-10-6-7-11-13)12-8-4-3-5-9-12/h3-6,8-10,13H,7,11H2,1-2H3 |
InChIKey | MOBOIGWHJVXBLI-UHFFFAOYSA-N |
Molecular Weight | 186.298 g/mol |
SMILES | C(C1C=CCC1)(C=1C=CC=CC1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981587 |