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1,4-Naphthalenedione, 6,7-dichloro-2-decyl-3-methyl-
SpectraBase Compound ID LjAtS6N9qwz
InChI InChI=1S/C21H26Cl2O2/c1-3-4-5-6-7-8-9-10-11-15-14(2)20(24)16-12-18(22)19(23)13-17(16)21(15)25/h12-13H,3-11H2,1-2H3
InChIKey CAPSZVMTKDNACN-UHFFFAOYSA-N
Mol Weight 381.34 g/mol
Molecular Formula C21H26Cl2O2
Exact Mass 380.130985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L21IW8PLNIm
Name 1,4-Naphthalenedione, 6,7-dichloro-2-decyl-3-methyl-
CAS Registry Number 117157-42-3
Comments Less than 3 mono-isotopic peaks
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Formula C21H26Cl2O2
InChI InChI=1S/C21H26Cl2O2/c1-3-4-5-6-7-8-9-10-11-15-14(2)20(24)16-12-18(22)19(23)13-17(16)21(15)25/h12-13H,3-11H2,1-2H3
InChIKey CAPSZVMTKDNACN-UHFFFAOYSA-N
Molecular Weight 381.343 g/mol
SMILES c12c(C(=O)C(=C(C2=O)C)CCCCCCCCCC)cc(c(c1)Cl)Cl
SPLASH splash10-00di-9003000000-2d429f2772ea82be5ab6
Source of Spectrum KC-1988-561-0
Synonyms 6,7-Dichloro-2-decyl-3-methyl-1,4-naphthoquinone 6,7-dichloro-2-decyl-3-methylnaphthoquinone
Wiley ID 1359716