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Pentanal, 2-(ethoxymethylene)-3-methyl-, [S-(E)]-
SpectraBase Compound ID AFNLAEJ07TE
InChI InChI=1S/C9H16O2/c1-4-8(3)9(6-10)7-11-5-2/h6-8H,4-5H2,1-3H3/b9-7-/t8-/m0/s1
InChIKey CNQDVIREDPDPGE-FZGDARCMSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZCeK0XljEo
Name Pentanal, 2-(ethoxymethylene)-3-methyl-, [S-(E)]-
Alternate Name(s) (2E)-3-ethoxy-2-[(1S)-1-methylpropyl]-2-propenal (S)-(+)-2-sec-butyl-3-ethoxypropenal
CAS Registry Number 127473-55-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-4-8(3)9(6-10)7-11-5-2/h6-8H,4-5H2,1-3H3/b9-7-/t8-/m0/s1
InChIKey CNQDVIREDPDPGE-FZGDARCMSA-N
Molecular Weight 156.225 g/mol
SMILES C(O\C=C\(C=O)[C@](CC)(C)[H])C
SPLASH splash10-002b-9600000000-5b2a024dbf4d119ffb01
Source of Spectrum K-123-2027-6
Wiley ID 1153828