SpectraBase Spectrum ID |
AR0I73C3G1n |
Name |
(1-(Naphthalen-2-yl)but-3-enyl)(phenyl)sulfane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
290.112921754 u |
Formula |
C20H18S |
InChI |
InChI=1S/C20H18S/c1-2-8-20(21-19-11-4-3-5-12-19)18-14-13-16-9-6-7-10-17(16)15-18/h2-7,9-15,20H,1,8H2 |
InChIKey |
AEZLBXGWVBMDHQ-UHFFFAOYSA-N |
SMILES |
C1(=CC2=CC=CC=C2C=C1)C(SC1=CC=CC=C1)CC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80164 |