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2-Heptanone, 3-ethyl-3-hydroxy-
SpectraBase Compound ID IavneAwG2QR
InChI InChI=1S/C9H18O2/c1-4-6-7-9(11,5-2)8(3)10/h11H,4-7H2,1-3H3
InChIKey DBGUSILTSVPXGI-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzoIqOoMO92
Name 2-Heptanone, 3-ethyl-3-hydroxy-
CAS Registry Number 54658-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-6-7-9(11,5-2)8(3)10/h11H,4-7H2,1-3H3
InChIKey DBGUSILTSVPXGI-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES OC(C(C)=O)(CCCC)CC
SPLASH splash10-05g3-9400000000-90661f7c3d0fcb1460c0
Source of Spectrum SD-1981-0-0
Synonyms 3-Ethyl-3-hydroxy-2-heptanone 3-Ethyl-3-hydroxy-heptan-2-one 3-Ethyl-3-oxidanyl-heptan-2-one
Wiley ID 1155498