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2-Heptanone, 7-phenyl-

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2-Heptanone, 7-phenyl-
SpectraBase Compound ID 8YqndilCKeX
InChI InChI=1S/C13H18O/c1-12(14)8-4-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKey OFTHNFJNLGTFTO-UHFFFAOYSA-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 5hNQQrNIpgY
Name 2-Heptanone, 7-phenyl-
Alternate Name(s) 7-Phenyl-2-heptanone 7-Phenylheptan-2-one
CAS Registry Number 14171-88-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-12(14)8-4-2-5-9-13-10-6-3-7-11-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKey OFTHNFJNLGTFTO-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES CC(CCCCCc1ccccc1)=O
SPLASH splash10-0006-9400000000-e430564713f4b25fe54e
Source of Spectrum T-67-2672-0
Wiley ID 20792