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Benzene, 1-nitro-4-(1,2,3-trimethyl-2-nitrobutyl)-, (R*,R*)-(.+-.)-
SpectraBase Compound ID 9gZuxK4eSMW
InChI InChI=1S/C13H18N2O4/c1-9(2)13(4,15(18)19)10(3)11-5-7-12(8-6-11)14(16)17/h5-10H,1-4H3
InChIKey CWGBGWJTLNKQAJ-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C13H18N2O4
Exact Mass 266.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nJxkp91iWC
Name Benzene, 1-nitro-4-(1,2,3-trimethyl-2-nitrobutyl)-, (R*,R*)-(.+-.)-
Alternate Name(s) (1'RS,2'RS)-1-nitro-4-(1,2,3-trimethyl-2-nitrobutyl)benzene 1-Nitro-4-(1,2,3-trimethyl-2-nitrobutyl)benzene
CAS Registry Number 83294-15-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O4
InChI InChI=1S/C13H18N2O4/c1-9(2)13(4,15(18)19)10(3)11-5-7-12(8-6-11)14(16)17/h5-10H,1-4H3
InChIKey CWGBGWJTLNKQAJ-UHFFFAOYSA-N
Molecular Weight 266.297 g/mol
SMILES C(N(=O)=O)(C(c1ccc(N(=O)=O)cc1)C)(C(C)C)C
SPLASH splash10-0udi-3900000000-5f802903e8ef2ef8e7c1
Source of Spectrum B-35-1631-0
Wiley ID 1269719