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4-Heptanone, 1-ethoxy-5-methyl-, (S)-
SpectraBase Compound ID LOWYDTIbii9
InChI InChI=1S/C10H20O2/c1-4-9(3)10(11)7-6-8-12-5-2/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKey CKDVHSRSNXRSEA-VIFPVBQESA-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 JNmqFMjkEzb
Name 4-Heptanone, 1-ethoxy-5-methyl-, (S)-
CAS Registry Number 71237-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-9(3)10(11)7-6-8-12-5-2/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKey CKDVHSRSNXRSEA-VIFPVBQESA-N
Molecular Weight 172.268 g/mol
SMILES C(=O)([C@](CC)(C)[H])CCCOCC
SPLASH splash10-05ic-9000000000-ebcc040f905d82511db3
Source of Spectrum KC-1979-849-0
Synonyms (5S)-1-ethoxy-5-methyl-4-heptanone (S)-1-ethoxy-5-methylheptan-4-one
Wiley ID 1169095