Debug Info

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8Q5W1TlV0Sf
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8Q5W1TlV0Sf
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Benzoic acid, 2-hydroxy-3,5-dinitro-, 2-thiocyanatoethyl ester
SpectraBase Compound ID 1RiH44BbTCC
InChI InChI=1S/C10H7N3O7S/c11-5-21-2-1-20-10(15)7-3-6(12(16)17)4-8(9(7)14)13(18)19/h3-4,14H,1-2H2
InChIKey ZVATVJPIKHPJQT-UHFFFAOYSA-N
Mol Weight 313.24 g/mol
Molecular Formula C10H7N3O7S
Exact Mass 313.000471 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Q5W1TlV0Sf
Name Benzoic acid, 2-hydroxy-3,5-dinitro-, 2-thiocyanatoethyl ester
CAS Registry Number 102941-66-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7N3O7S
InChI InChI=1S/C10H7N3O7S/c11-5-21-2-1-20-10(15)7-3-6(12(16)17)4-8(9(7)14)13(18)19/h3-4,14H,1-2H2
InChIKey ZVATVJPIKHPJQT-UHFFFAOYSA-N
Molecular Weight 313.240 g/mol
SMILES Oc1c(C(=O)OCCSC#N)cc(N(=O)=O)cc1N(=O)=O
SPLASH splash10-052r-9400000000-c847d0ea62686a66cccf
Source of Spectrum J-51-3021-7
Synonyms (2-Cyanothioethyl) (1,3-dinitro-4-hydroxy-5-phenyl)-carboxylate 2-(cyanosulfanyl)ethyl 2-hydroxy-3,5-dinitrobenzoate
Wiley ID 1314005
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