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Benzyldiethylsulfonium picrate

View entire compound with spectra: 1 MS (GC)

Benzyldiethylsulfonium picrate
SpectraBase Compound ID LDPQtMLCDLe
InChI InChI=1S/C11H17S.C6H3N3O7/c1-3-12(4-2)10-11-8-6-5-7-9-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-9H,3-4,10H2,1-2H3;1-2,10H/q+1;/p-1
InChIKey UMHOTWJBUWPRIB-UHFFFAOYSA-M
Mol Weight 409.41 g/mol
Molecular Formula C17H19N3O7S
Exact Mass 409.094371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43g24bP8t6
Name Benzyldiethylsulfonium picrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3O7S
InChI InChI=1S/C11H17S.C6H3N3O7/c1-3-12(4-2)10-11-8-6-5-7-9-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-9H,3-4,10H2,1-2H3;1-2,10H/q+1;/p-1
InChIKey UMHOTWJBUWPRIB-UHFFFAOYSA-M
Molecular Weight 409.413 g/mol
SMILES C([S+](CC)CC)c1ccccc1.c1(c(c([N+]([O-])=O)cc([N+]([O-])=O)c1)[O-])[N+]([O-])=O
SPLASH splash10-01r7-9000000000-4022f8012055741ef16c
Source of Spectrum RB-1982-11774-0
Wiley ID 121577