SpectraBase Spectrum ID |
C0i5t3YWO9l |
Name |
1-Cyclopent-1-enyl-1,2,3,4-tetrahydroisoquinoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
199.136099551 u |
Formula |
C14H17N |
InChI |
InChI=1S/C14H17N/c1-2-7-12(6-1)14-13-8-4-3-5-11(13)9-10-15-14/h3-6,8,14-15H,1-2,7,9-10H2 |
InChIKey |
RIYJCVBXOUXTAW-UHFFFAOYSA-N |
Molecular Weight |
199.297 g/mol |
SMILES |
C1CC=C(C1)C1C=2C=CC=CC2CCN1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982309 |