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3-Heptanone, 5-methyl-
SpectraBase Compound ID B92rbdsziiO
InChI InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey PSBKJPTZCVYXSD-UHFFFAOYSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFOvkYOCvF5
Name 3-Heptanone, 5-methyl-
CAS Registry Number 541-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O
InChI InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey PSBKJPTZCVYXSD-UHFFFAOYSA-N
Molecular Weight 128.215 g/mol
SMILES CC(CC(CC)=O)CC
SPLASH splash10-0596-9000000000-35f7f019c59444a41bfd
Source of Spectrum PR-841-0-0
Synonyms 5-Methyl-3-heptanone 2-Methylbutyl ethyl ketone 3-Methyl-5-heptanone 5-Methylheptan-3-one 5-Methylheptanone-(3) Ethyl 2-methylbutyl ketone Ethyl sec-amyl ketone BRN 0506345 EINECS 208-793-7 NSC 100734
Wiley ID 1131609