2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)-2-propenylidene]hexahydropyrimidine

SpectraBase Compound ID	Ge5xrSQZCPT
InChI	InChI=1S/C13H13Cl2N3O2S/c14-12(15)11(21-9-5-2-1-3-6-9)10(18(19)20)13-16-7-4-8-17-13/h1-3,5-6,16-17H,4,7-8H2
InChIKey	BWSKEIUZVOJGKV-UHFFFAOYSA-N Google Search
Mol Weight	346.23 g/mol
Molecular Formula	C13H13Cl2N3O2S
Exact Mass	345.010553 g/mol

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SpectraBase Spectrum ID	Cm7pUCjkxfp
Name	2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)-2-propenylidene]hexahydropyrimidine
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	345.010553243 u
Formula	C13H13Cl2N3O2S
InChI	InChI=1S/C13H13Cl2N3O2S/c14-12(15)11(21-9-5-2-1-3-6-9)10(18(19)20)13-16-7-4-8-17-13/h1-3,5-6,16-17H,4,7-8H2
InChIKey	BWSKEIUZVOJGKV-UHFFFAOYSA-N
Molecular Weight	346.232 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2020_4154
Solvent	DMSO-d6
Source	Vendor ID: NMR/12308806