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2-[Bis(2-chloroethyl)amino]-2-oxo-3-oxa-7-thia-1-aza-2-phosphabicyclo[4.3.0]nonane isomer
SpectraBase Compound ID ISfJrZUuotV
InChI InChI=1S/C9H17Cl2N2O2PS/c10-2-4-12(5-3-11)16(14)13-6-8-17-9(13)1-7-15-16/h9H,1-8H2
InChIKey JXXQLWISDDCTLG-UHFFFAOYSA-N
Mol Weight 319.19 g/mol
Molecular Formula C9H17Cl2N2O2PS
Exact Mass 318.012541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5l0k8VoV1Nz
Name 2-[Bis(2-chloroethyl)amino]-2-oxo-3-oxa-7-thia-1-aza-2-phosphabicyclo[4.3.0]nonane isomer
Alternate Name(s) N,N-bis(2-chloroethyl)-N-(1-oxidotetrahydro-3H-[1,3]thiazolo[3,2-c][1,3,2]oxazaphosphorin-1-yl)amine N,N-bis(2-chloroethyl)tetrahydro-3H-[1,3]thiazolo[3,2-c][1,3,2]oxazaphosphorin-1-amine 1-oxide
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Formula C9H17Cl2N2O2PS
InChI InChI=1S/C9H17Cl2N2O2PS/c10-2-4-12(5-3-11)16(14)13-6-8-17-9(13)1-7-15-16/h9H,1-8H2
InChIKey JXXQLWISDDCTLG-UHFFFAOYSA-N
Molecular Weight 319.187 g/mol
SMILES C12N(P(OCC2)(N(CCCl)CCCl)=O)CCS1
SPLASH splash10-0mi6-0491000000-db50641e96f32f7e827f
Source of Spectrum SO-0-704-13
Wiley ID 1543381