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1,2-Cyclohexanedicarbamic acid, N,N'-dinitro-, diethyl ester, trans-
SpectraBase Compound ID 18XIBeitwnk
InChI InChI=1S/C12H20N4O8/c1-3-23-11(17)13(15(19)20)9-7-5-6-8-10(9)14(16(21)22)12(18)24-4-2/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKey NYZKXDZWSFFUPT-AOOOYVTPSA-N
Mol Weight 348.31 g/mol
Molecular Formula C12H20N4O8
Exact Mass 348.128114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lj9qhaIHCP
Name 1,2-Cyclohexanedicarbamic acid, N,N'-dinitro-, diethyl ester, trans-
CAS Registry Number 22424-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20N4O8
InChI InChI=1S/C12H20N4O8/c1-3-23-11(17)13(15(19)20)9-7-5-6-8-10(9)14(16(21)22)12(18)24-4-2/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKey NYZKXDZWSFFUPT-AOOOYVTPSA-N
Molecular Weight 348.312 g/mol
SMILES [C@]1(N(N(=O)=O)C(=O)OCC)([C@](N(N(=O)=O)C(=O)OCC)(CCCC1)[H])[H]
SPLASH splash10-001l-9100000000-af2309f4d1da65f0822e
Source of Spectrum RB-1982-10066-0
Synonyms cis-diethyl ester of N,N'-dinitro-1,2-cyclohexanedicarbamic acid Ethyl 1-{(1R,2S)-2-[1-(ethoxycarbonyl)-2,2-dioxido-2lambda(1)-diazanyl]cyclohexyl}-2lambda(1)-diazanecarboxylate 2,2-dioxide trans-diethyl ester of N,N'-dinitro-1,2-cyclohexanedicarbamic acid
Wiley ID 133583