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1-Cycloheptene-1-carboxaldehyde, 2-(butylthio)-
SpectraBase Compound ID LFk7MPqz1uP
InChI InChI=1S/C12H20OS/c1-2-3-9-14-12-8-6-4-5-7-11(12)10-13/h10H,2-9H2,1H3
InChIKey PBLVCLHPLHVUAI-UHFFFAOYSA-N
Mol Weight 212.35 g/mol
Molecular Formula C12H20OS
Exact Mass 212.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XCtEHf2LeU
Name 1-Cycloheptene-1-carboxaldehyde, 2-(butylthio)-
CAS Registry Number 119044-11-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20OS
InChI InChI=1S/C12H20OS/c1-2-3-9-14-12-8-6-4-5-7-11(12)10-13/h10H,2-9H2,1H3
InChIKey PBLVCLHPLHVUAI-UHFFFAOYSA-N
Molecular Weight 212.351 g/mol
SMILES C1(=C(SCCCC)CCCCC1)C=O
SPLASH splash10-0a4l-8910000000-c31e702ba8b5dcc0cdcf
Source of Spectrum F-44-4466-2
Synonyms 2-(butylsulfanyl)-1-cycloheptene-1-carbaldehyde 2-n-butylthio-cyclohept-1-ene-carbaldehyde
Wiley ID 1211431