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2-(3-Methylbut-1-yn-1-yl)benzaldehyde
SpectraBase Compound ID 4SLnCIohd72
InChI InChI=1S/C12H12O/c1-10(2)7-8-11-5-3-4-6-12(11)9-13/h3-6,9-10H,1-2H3
InChIKey SGAOAKSQDTWSOT-UHFFFAOYSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4FLTW3JbdT
Name 2-(3-Methylbut-1-yn-1-yl)benzaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c1-10(2)7-8-11-5-3-4-6-12(11)9-13/h3-6,9-10H,1-2H3
InChIKey SGAOAKSQDTWSOT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300572
Molecular Weight 172.227 g/mol
SMILES c1(c(cccc1)C=O)C#CC(C)C
SPLASH splash10-0a6r-0900000000-62e0ec6fb1056d0d46ef
Source of Spectrum ASC-355-2481/SM7-7_1
Wiley ID 1761743