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3-Heptanone, 2-methyl-
SpectraBase Compound ID JWTPKovkuNv
InChI InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey XYYMFUCZDNNGFS-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 F0V4N6FFEKS
Name 3-Heptanone, 2-methyl-
Alternate Name(s) 2-Methyl-3-heptanone 2-Methyl-heptan-3-one 2-Methylheptanone-(3) EINECS 235-877-0 NSC 21978
CAS Registry Number 13019-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O
InChI InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey XYYMFUCZDNNGFS-UHFFFAOYSA-N
Molecular Weight 128.215 g/mol
SMILES C(=O)(C(C)C)CCCC
SPLASH splash10-0a4u-9000000000-80f3463db2a9b8e5c74f
Wiley ID 1480202