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2-Heptylthioethanal
SpectraBase Compound ID 867Hs7dzH54
InChI InChI=1S/C9H18OS/c1-2-3-4-5-6-8-11-9-7-10/h7H,2-6,8-9H2,1H3
InChIKey NOVGFDLWSBAEMA-UHFFFAOYSA-N
Mol Weight 174.3 g/mol
Molecular Formula C9H18OS
Exact Mass 174.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Po6vFzVFVC
Name 2-Heptylthioethanal
Appearance Clear liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18OS
InChI InChI=1S/C9H18OS/c1-2-3-4-5-6-8-11-9-7-10/h7H,2-6,8-9H2,1H3
InChIKey NOVGFDLWSBAEMA-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5890-5971A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.a11
Molecular Weight 174.302 g/mol
SMILES C(CCCCCSCC=O)C
SPLASH splash10-0btc-9100000000-6efc0fc729d1ff266025
Source of Spectrum ARK-2011-133-1d
Wiley ID 1864310