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(S)-2-Methyl-5-Phenylpent-4-ynal
SpectraBase Compound ID 9uNCzOwpkUB
InChI InChI=1S/C12H12O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-4,7-8,10-11H,6H2,1H3/t11-/m0/s1
InChIKey IQTOIRNHCDJIMD-NSHDSACASA-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 9kV3tsKnctD
Name (S)-2-Methyl-5-Phenylpent-4-ynal
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-4,7-8,10-11H,6H2,1H3/t11-/m0/s1
InChIKey IQTOIRNHCDJIMD-NSHDSACASA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900177
Molecular Weight 172.227 g/mol
SMILES C([C@](CC#Cc1ccccc1)(C)[H])=O
SPLASH splash10-0fvi-0900000000-69326efae10af41204d3
Source of Spectrum ASC-361-2645-(S)-7a
Wiley ID 1836665