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(3R)-3-PHENYL-HEPTAN-2-ONE
SpectraBase Compound ID 5oqk29AGz4l
InChI InChI=1S/C13H18O/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3/t13-/m1/s1
InChIKey GOCPGZPCTSKYKW-CYBMUJFWSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Di1su27XnDF
Name (-)-(S)-3-Phenyl-2-heptanone
Alternate Name(s) (3S)-3-phenyl-2-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3/t13-/m1/s1
InChIKey GOCPGZPCTSKYKW-CYBMUJFWSA-N
Molecular Weight 190.286 g/mol
SMILES C([C@](c1ccccc1)(CCCC)[H])(=O)C
SPLASH splash10-0006-9300000000-3ed60be775f3f3c40466
Source of Spectrum J-61-4389-41
Wiley ID 1187110