SpectraBase Spectrum ID |
It9J4fdOlJl |
Name |
Bicyclo[4.1.0]heptane, 7-(1-phenylethenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
198.140850580 u |
Formula |
C15H18 |
InChI |
InChI=1S/C15H18/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)15/h2-4,7-8,13-15H,1,5-6,9-10H2 |
InChIKey |
OESUEHDQKNNUMT-UHFFFAOYSA-N |
Molecular Weight |
198.309 g/mol |
SMILES |
C1(C2CCCCC12)C(C=1C=CC=CC1)=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893384 |