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N-Methyl-5-nitro-1,4-thia-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonyl-imide
SpectraBase Compound ID LItyhbUSDBb
InChI InChI=1S/C13H10N2O4S/c1-14-12(16)8-9(13(14)17)11-7-5(10(8)20-11)3-2-4-6(7)15(18)19/h2-4,8-11H,1H3/t8-,9+,10-,11+/m0/s1
InChIKey HLLIQMSOAOEMPS-ZRUFSTJUSA-N
Mol Weight 290.29 g/mol
Molecular Formula C13H10N2O4S
Exact Mass 290.036128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYzl1wCGzf5
Name N-Methyl-5-nitro-1,4-thia-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonyl-imide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O4S
InChI InChI=1S/C13H10N2O4S/c1-14-12(16)8-9(13(14)17)11-7-5(10(8)20-11)3-2-4-6(7)15(18)19/h2-4,8-11H,1H3/t8-,9+,10-,11+/m0/s1
InChIKey HLLIQMSOAOEMPS-ZRUFSTJUSA-N
Molecular Weight 290.293 g/mol
SMILES [C@]12([C@](C(=O)N(C2=O)C)([C@]2(S[C@@]1(c1c2cccc1[N+]([O-])=O)[H])[H])[H])[H]
SPLASH splash10-005i-2910000000-f05329e878f9039c79fe
Source of Spectrum AH-128-277-6.1a
Wiley ID 1292466