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3-Mercapto-2-naphthalenecarboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

3-Mercapto-2-naphthalenecarboxylic acid methyl ester
SpectraBase Compound ID HDZPjuWro4A
InChI InChI=1S/C12H10O2S/c1-14-12(13)10-6-8-4-2-3-5-9(8)7-11(10)15/h2-7,15H,1H3
InChIKey ZEYDEXZUPUFHRA-UHFFFAOYSA-N
Mol Weight 218.27 g/mol
Molecular Formula C12H10O2S
Exact Mass 218.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Y20R3BtOzX
Name 3-Mercapto-2-naphthalenecarboxylic acid methyl ester
Alternate Name(s) 3-Mercaptonaphthalene-2-carboxylic acid methyl ester Methyl 3-sulfanylnaphthalene-2-carboxylate
CAS Registry Number 86163-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O2S
InChI InChI=1S/C12H10O2S/c1-14-12(13)10-6-8-4-2-3-5-9(8)7-11(10)15/h2-7,15H,1H3
InChIKey ZEYDEXZUPUFHRA-UHFFFAOYSA-N
Molecular Weight 218.270 g/mol
SMILES Sc1c(cc2c(cccc2)c1)C(=O)OC
SPLASH splash10-00kr-0920000000-6f4e7e12d3ed8f58a0ef
Source of Spectrum J-52-3845-23
Wiley ID 1217416