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7-Methyl-1-pentylbicyclo[2.2.1]heptan-2-one
SpectraBase Compound ID 8BpRrSzeNT7
InChI InChI=1S/C13H22O/c1-3-4-5-7-13-8-6-11(10(13)2)9-12(13)14/h10-11H,3-9H2,1-2H3/t10?,11-,13-/m0/s1
InChIKey AGHJVWWUMNPHQQ-KUNJKIHDSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yjVAu0Zk4z
Name 7-Methyl-1-pentylbicyclo[2.2.1]heptan-2-one
Alternate Name(s) (1S,4R)-7-methyl-1-pentylbicyclo[2.2.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-3-4-5-7-13-8-6-11(10(13)2)9-12(13)14/h10-11H,3-9H2,1-2H3/t10?,11-,13-/m0/s1
InChIKey AGHJVWWUMNPHQQ-KUNJKIHDSA-N
Literature Reference DOI 10.1021/jo500942a
Molecular Weight 194.318 g/mol
SMILES [C@]12(C([C@](CCCCC)(CC2)C(=O)C1)C)[H]
SPLASH splash10-001m-9300000000-8859de827c4676c2c713
Source of Spectrum J-79-6730-15g
Wiley ID 1746310