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3,3-dimethyl-4-(nitromethyl)cyclopentan-1-one
SpectraBase Compound ID O6KAOB1zDJ
InChI InChI=1S/C8H13NO3/c1-8(2)4-7(10)3-6(8)5-9(11)12/h6H,3-5H2,1-2H3
InChIKey AHYZNNYFBREQQV-UHFFFAOYSA-N
Mol Weight 171.2 g/mol
Molecular Formula C8H13NO3
Exact Mass 171.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJU8zcyEN6Z
Name 3,3-Dimethyl-4-(nitromethyl)-1-cyclopentanone
CAS Registry Number 108946-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO3
InChI InChI=1S/C8H13NO3/c1-8(2)4-7(10)3-6(8)5-9(11)12/h6H,3-5H2,1-2H3
InChIKey AHYZNNYFBREQQV-UHFFFAOYSA-N
Molecular Weight 171.196 g/mol
SMILES C(N(=O)=O)C1C(CC(C1)=O)(C)C
SPLASH splash10-00di-0900000000-5aa140e7a5d376926b1d
Source of Spectrum K-120-1147-7
Synonyms 3,3-Dimethyl-4-(nitromethyl)cyclopentan-1-one 3,3-Dimethyl-4-(nitromethyl)cyclopentanone
Wiley ID 1167875