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Cyclododecanone, 2-(4-nitro-1-oxobutyl)-
SpectraBase Compound ID JqQpVhp6pqD
InChI InChI=1S/C16H27NO4/c18-15-11-8-6-4-2-1-3-5-7-10-14(15)16(19)12-9-13-17(20)21/h14H,1-13H2
InChIKey NJFBPILEGNIHDC-UHFFFAOYSA-N
Mol Weight 297.4 g/mol
Molecular Formula C16H27NO4
Exact Mass 297.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vtdOLsGTa8
Name Cyclododecanone, 2-(4-nitro-1-oxobutyl)-
Alternate Name(s) 2-(4'-Nitrobutyryl)cyclododecanone 2-(4-Nitrobutanoyl)cyclododecanone
CAS Registry Number 79630-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27NO4
InChI InChI=1S/C16H27NO4/c18-15-11-8-6-4-2-1-3-5-7-10-14(15)16(19)12-9-13-17(20)21/h14H,1-13H2
InChIKey NJFBPILEGNIHDC-UHFFFAOYSA-N
Molecular Weight 297.395 g/mol
SMILES C(N(=O)=O)CCC(C1C(=O)CCCCCCCCCC1)=O
SPLASH splash10-0ar4-9310000000-10729a8a0476d2e368f0
Source of Spectrum H-64-732-0
Wiley ID 1300095