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2-Methyl-1-naphthylisothiocyanic acid, ester

View entire compound with spectra: 2 FTIR, and 1 Raman

2-Methyl-1-naphthylisothiocyanic acid, ester
SpectraBase Compound ID KnswOhCOlnQ
InChI InChI=1S/C12H9NS/c1-9-6-7-10-4-2-3-5-11(10)12(9)13-8-14/h2-7H,1H3
InChIKey SFBHQNMUADYHOF-UHFFFAOYSA-N
Mol Weight 199.27 g/mol
Molecular Formula C12H9NS
Exact Mass 199.04557 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Cr4q9QyZupq
Name 2-Methyl-1-naphthylisothiocyanic acid, ester; naphthalene, 2-methyl-1-thioisocyanato-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 199.045570468 u
Formula C12H9NS
InChI InChI=1S/C12H9NS/c1-9-6-7-10-4-2-3-5-11(10)12(9)13-8-14/h2-7H,1H3
InChIKey SFBHQNMUADYHOF-UHFFFAOYSA-N
Molecular Weight 199.271 g/mol
SMILES C1(=C(C=CC=2C=CC=CC12)C)N=C=S
Spectrum/Structure Validation Score (Raman) 0.928262