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[4-(2-chloro-4-nitro-5-vinylsulfanyl-3-thienyl)piperazin-1-yl]-tetrahydrofuran-2-yl-methanone
SpectraBase Compound ID GRka4HB2a4L
InChI InChI=1S/C15H18ClN3O4S2/c1-2-24-15-12(19(21)22)11(13(16)25-15)17-5-7-18(8-6-17)14(20)10-4-3-9-23-10/h2,10H,1,3-9H2
InChIKey DSPDIGCTLVLSOR-UHFFFAOYSA-N
Mol Weight 403.9 g/mol
Molecular Formula C15H18ClN3O4S2
Exact Mass 403.042726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IW4gDqYlp90
Name [4-(2-chloro-4-nitro-5-vinylsulfanyl-3-thienyl)piperazin-1-yl]-tetrahydrofuran-2-yl-methanone
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.042726116 u
Formula C15H18ClN3O4S2
InChI InChI=1S/C15H18ClN3O4S2/c1-2-24-15-12(19(21)22)11(13(16)25-15)17-5-7-18(8-6-17)14(20)10-4-3-9-23-10/h2,10H,1,3-9H2
InChIKey DSPDIGCTLVLSOR-UHFFFAOYSA-N
Instrument Name Hewlett-Packard MS 5989B
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.989
Molecular Weight 403.899 g/mol
Reported Formula C15H18ClN3O4S2
SMILES C1N(CCN(C1)C(=O)C1OCCC1)C1=C(SC(=C1[N+]([O-])=O)SC=C)Cl
SPLASH splash10-0udi-0001900000-e539c09fe9cc7fda1f82
Source of Spectrum ARK-2023-14-P28G6 (DOI: 10.24820/ark.5550190.p011.989)
Wiley ID 1911285