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2-Chloranyl-3,7-dimethyl-cyclohept-2-en-1-one
SpectraBase Compound ID BEmpFHUjqDw
InChI InChI=1S/C9H13ClO/c1-6-4-3-5-7(2)9(11)8(6)10/h7H,3-5H2,1-2H3
InChIKey ZCDVIPUYXPIKRO-UHFFFAOYSA-N
Mol Weight 172.65 g/mol
Molecular Formula C9H13ClO
Exact Mass 172.065493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2N0tHjBFKjl
Name 2-Chloranyl-3,7-dimethyl-cyclohept-2-en-1-one
Alternate Name(s) 2-Chloro-3,7-dimethyl-1-cyclohept-2-enone 2-Chloro-3,7-dimethyl-cyclohept-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13ClO
InChI InChI=1S/C9H13ClO/c1-6-4-3-5-7(2)9(11)8(6)10/h7H,3-5H2,1-2H3
InChIKey ZCDVIPUYXPIKRO-UHFFFAOYSA-N
Molecular Weight 172.655 g/mol
SMILES C=1(C(=O)C(CCCC1C)C)Cl
SPLASH splash10-0699-9800000000-2a5b418e83275053e884
Source of Spectrum C5-2002-1698-3
Wiley ID 1614925