SpectraBase Spectrum ID |
CBqcqnv8A8d |
Name |
Trans-2-methyl-1-phenyltetralin |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.140850580 u |
Formula |
C17H18 |
InChI |
InChI=1S/C17H18/c1-13-11-12-14-7-5-6-10-16(14)17(13)15-8-3-2-4-9-15/h2-10,13,17H,11-12H2,1H3/t13-,17-/m1/s1 |
InChIKey |
RYBWCMMWJIXAGZ-CXAGYDPISA-N |
Molecular Weight |
222.331 g/mol |
SMILES |
C1=2[C@]([C@](C)(CCC2C=CC=C1)[H])(C=1C=CC=CC1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947806 |