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2-Heptanone, 3-hydroxy-3-methyl-
SpectraBase Compound ID 62zozMreuVd
InChI InChI=1S/C8H16O2/c1-4-5-6-8(3,10)7(2)9/h10H,4-6H2,1-3H3
InChIKey LXVANNOZOKMRGM-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNpe0p8OHLs
Name 2-Heptanone, 3-hydroxy-3-methyl-
CAS Registry Number 13757-91-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-4-5-6-8(3,10)7(2)9/h10H,4-6H2,1-3H3
InChIKey LXVANNOZOKMRGM-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
SMILES OC(C(=O)C)(CCCC)C
SPLASH splash10-0a4i-9100000000-4f42d79fca7205369259
Source of Spectrum SD-1981-0-0
Synonyms 3-Hydroxy-3-methyl-2-heptanone 3-Hydroxy-3-methyl-heptan-2-one 3-Methyl-3-oxidanyl-heptan-2-one
Wiley ID 1142756