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4-(dipropylamino)-3,5-dinitrobenzenesulfamide
SpectraBase Compound ID G1BjVcr7JFP
InChI InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)
InChIKey UNAHYJYOSSSJHH-UHFFFAOYSA-N
Mol Weight 346.36 g/mol
Molecular Formula C12H18N4O6S
Exact Mass 346.094705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XjhoLAl1tY
Name Oryzalin
CAS Registry Number 19044-88-3
Classification Herbicide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 346.094705484 u
Formula C12H18N4O6S
InChI InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)
InChIKey UNAHYJYOSSSJHH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 346.358 g/mol
Nominal Mass 346 u
Quality 983
Retention Index 2594
SMILES C1(=C(C=C(S(N)(=O)=O)C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCC)CCC
SPLASH splash10-016r-6795000000-99bdda098885cc7a232b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3,5-Dinitro-N4,N4-dipropylsulfanilamide
Technique GC/MS
Wiley ID DD2024_011951