(1R,3S,6S)-3-(2',4'-Dinitrophenoxy)-2,4-dioxa-3-phospha-[1,5,5-trideuterio)-bicyclo[4.4.0]decane - 3-Oxide - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	5a7hpFN8AOs
InChI	InChI=1S/C13H15N2O8P/c16-14(17)10-5-6-13(11(7-10)15(18)19)23-24(20)21-8-9-3-1-2-4-12(9)22-24/h5-7,9,12H,1-4,8H2/t9-,12+,24+/m1/s1/i8D2,12D
InChIKey	VYFPDFBDFSDDDF-YPCKKIKLSA-N Google Search
Mol Weight	361.26 g/mol
Molecular Formula	C13H122D3N2O8P
Exact Mass	361.075433 g/mol

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SpectraBase Spectrum ID	H4Ykgdww5A8
Name	(1S,3S,6R)-3-(2',4'-Dinitrophenoxy)-2,4-dioxa-3-phospha-[1,5,5-trideuterio)-bicyclo[4.4.0]decane - 3-Oxide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H12D3N2O8P
InChI	InChI=1S/C13H15N2O8P/c16-14(17)10-5-6-13(11(7-10)15(18)19)23-24(20)21-8-9-3-1-2-4-12(9)22-24/h5-7,9,12H,1-4,8H2/t9-,12+,24+/m1/s1/i8D2,12D
InChIKey	VYFPDFBDFSDDDF-YPCKKIKLSA-N
Molecular Weight	361.261 g/mol
SMILES	[C@]12(O[P@](OC([C@]1(CCCC2)[H])([2D])[2D])(Oc1c(N(=O)=O)cc(N(=O)=O)cc1)=O)[2D]
SPLASH	splash10-0w30-9600000000-26915ad6fe743cc918e6
Source of Spectrum	H-90-2081-9
Wiley ID	1590850