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5-Benzoyl-8-methylsulfinyl-3,4-dihydro-2H-naphthalen-1-one

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

5-Benzoyl-8-methylsulfinyl-3,4-dihydro-2H-naphthalen-1-one
SpectraBase Compound ID CCcG2nlx74S
InChI InChI=1S/C18H16O3S/c1-22(21)16-11-10-14(13-8-5-9-15(19)17(13)16)18(20)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKey NUSZXWXLOGIXHY-UHFFFAOYSA-N
Mol Weight 312.38 g/mol
Molecular Formula C18H16O3S
Exact Mass 312.082016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4YYs7oCFt5L
Name 5-Benzoyl-8-methylsulfinyl-3,4-dihydro-2H-naphthalen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.082015546 u
Formula C18H16O3S
InChI InChI=1S/C18H16O3S/c1-22(21)16-11-10-14(13-8-5-9-15(19)17(13)16)18(20)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKey NUSZXWXLOGIXHY-UHFFFAOYSA-N
Molecular Weight 312.383 g/mol
SMILES C12=C(C(C(=O)C3=CC=CC=C3)=CC=C1S(=O)C)CCCC2=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876646