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3-nitro-4-thiocyanatobenzoic acid, methyl ester
SpectraBase Compound ID IIZRBrml6Sl
InChI InChI=1S/C9H6N2O4S/c1-15-9(12)6-2-3-8(16-5-10)7(4-6)11(13)14/h2-4H,1H3
InChIKey NOPZUQWMXRVFBY-UHFFFAOYSA-N
Mol Weight 238.22 g/mol
Molecular Formula C9H6N2O4S
Exact Mass 238.004828 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2nuao7EYNcP
Name 3-NITRO-4-THIOCYANATOBENZOIC ACID, METHYL ESTER
Source of Sample ICI Ltd., Agricultural Division, Bracknell, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N2O4S
InChI InChI=1S/C9H6N2O4S/c1-15-9(12)6-2-3-8(16-5-10)7(4-6)11(13)14/h2-4H,1H3
InChIKey NOPZUQWMXRVFBY-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 64, 8073(1966)
Melting Point 98C
Molecular Weight 238.216995
Synonyms BENZOIC ACID, 3-NITRO-4-THIO- CYANATO-, METHYL ESTER THIOCYANIC ACID, 4-/METHOXY- CARBONYL/-2-NITROPHENYL ESTER BENZOIC ACID, 4-MERCAPTO-3-NITRO-, METHYL ESTER, THIOCYANATE
Technique KBr WAFER