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2-Heptanone, 5-ethyl-4-hydroxy-3-methyl-, [R-(R*,S*)]-
SpectraBase Compound ID ErQUEnT2CM4
InChI InChI=1S/C10H20O2/c1-5-9(6-2)10(12)7(3)8(4)11/h7,9-10,12H,5-6H2,1-4H3
InChIKey RIPHMDUXEZBMKN-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KV3k6aUO2F8
Name 2-Heptanone, 5-ethyl-4-hydroxy-3-methyl-, [R-(R*,S*)]-
Alternate Name(s) (-)-Syn-5-ethyl-4-hydroxy-3-methylheptan-2-one 5-Ethyl-4-hydroxy-3-methyl-2-heptanone
CAS Registry Number 125261-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-5-9(6-2)10(12)7(3)8(4)11/h7,9-10,12H,5-6H2,1-4H3
InChIKey RIPHMDUXEZBMKN-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES OC(C(C(=O)C)C)C(CC)CC
SPLASH splash10-0fdo-9200000000-ce04f3f8e335bc019049
Source of Spectrum KC-1989-1029-0
Wiley ID 1169186