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1H-2-Benzothiopyran, 1-(1-methylethyl)-1-phenyl-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1H-2-Benzothiopyran, 1-(1-methylethyl)-1-phenyl-
SpectraBase Compound ID Iy7mmLIUQ1z
InChI InChI=1S/C18H18S/c1-14(2)18(16-9-4-3-5-10-16)17-11-7-6-8-15(17)12-13-19-18/h3-14H,1-2H3
InChIKey YNCHXNYVAQXNFX-UHFFFAOYSA-N
Mol Weight 266.4 g/mol
Molecular Formula C18H18S
Exact Mass 266.112922 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 47BLTBpd1Wo
Name 1H-2-Benzothiopyran, 1-(1-methylethyl)-1-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.112921754 u
Formula C18H18S
InChI InChI=1S/C18H18S/c1-14(2)18(16-9-4-3-5-10-16)17-11-7-6-8-15(17)12-13-19-18/h3-14H,1-2H3
InChIKey YNCHXNYVAQXNFX-UHFFFAOYSA-N
Molecular Weight 266.402 g/mol
SMILES C1(C=2C(=CC=CC2)C=CS1)(C1=CC=CC=C1)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974164