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2-Nitro-5-thiocyanatobenzoic acid

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2-Nitro-5-thiocyanatobenzoic acid
SpectraBase Compound ID 6DQHmPUKpic
InChI InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)
InChIKey NQUNIMFHIWQQGJ-UHFFFAOYSA-N
Mol Weight 224.19 g/mol
Molecular Formula C8H4N2O4S
Exact Mass 223.989178 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 86UZrcAI8Fx
Name 2-Nitro-5-thiocyanatobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 284866
CAS Registry Number 30211-77-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4N2O4S
InChI InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)
InChIKey NQUNIMFHIWQQGJ-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Nitro-5-thiocyanobenzoic acid, NTCB
Wiley ID SIAL_1HNMR_005299