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2-tert-Butyl-5-methyl-5-[1-(nitromethyl)propyl]-1,3-dioxolan-4-one
SpectraBase Compound ID Fdkq0l53GU3
InChI InChI=1S/C12H21NO5/c1-6-8(7-13(15)16)12(5)9(14)17-10(18-12)11(2,3)4/h8,10H,6-7H2,1-5H3
InChIKey UFSBCYVSNMNZOQ-UHFFFAOYSA-N
Mol Weight 259.3 g/mol
Molecular Formula C12H21NO5
Exact Mass 259.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MpWaDXKRFW
Name 2-tert-Butyl-5-methyl-5-[1-(nitromethyl)propyl]-1,3-dioxolan-4-one
CAS Registry Number 104194-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO5
InChI InChI=1S/C12H21NO5/c1-6-8(7-13(15)16)12(5)9(14)17-10(18-12)11(2,3)4/h8,10H,6-7H2,1-5H3
InChIKey UFSBCYVSNMNZOQ-UHFFFAOYSA-N
Molecular Weight 259.302 g/mol
SMILES C1(OC(OC1(C)C(CC)CN(=O)=O)C(C)(C)C)=O
SPLASH splash10-0007-9000000000-f82120b196ecb3d9169c
Source of Spectrum H-68-1600-7
Synonyms 1,3-Dioxolan-4-one, 5-[1-(aminomethyl)propyl]-2-(1,1-dimethylethyl)-5-methyl 2-tert-Butyl-5-methyl-5-(1-nitrobutan-2-yl)-1,3-dioxolan-4-one
Wiley ID 1262588