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(1S)-1-(2-Naphthy)-1,3-dihydroisobenzothiophene

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

(1S)-1-(2-Naphthy)-1,3-dihydroisobenzothiophene
SpectraBase Compound ID ASZfnDuwsUa
InChI InChI=1S/C19H16S/c1-2-6-16-11-14(9-10-15(16)5-1)12-19-18-8-4-3-7-17(18)13-20-19/h1-11,19H,12-13H2/t19-/m0/s1
InChIKey QEUYFQRAAQHSCD-IBGZPJMESA-N
Mol Weight 276.4 g/mol
Molecular Formula C19H16S
Exact Mass 276.097272 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7ui5ZEkHl0W
Name (1S)-1-(2-Naphthy)-1,3-dihydroisobenzothiophene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.097271689 u
Formula C19H16S
InChI InChI=1S/C19H16S/c1-2-6-16-11-14(9-10-15(16)5-1)12-19-18-8-4-3-7-17(18)13-20-19/h1-11,19H,12-13H2/t19-/m0/s1
InChIKey QEUYFQRAAQHSCD-IBGZPJMESA-N
SMILES [C@@]1(SCC=2C=CC=CC12)(CC=1C=C2C=CC=CC2=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949126