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6-(Phenylethynyl)-1,3-benzodioxole-5-carbaldehyde
SpectraBase Compound ID CKZaVdCaDcJ
InChI InChI=1S/C16H10O3/c17-10-14-9-16-15(18-11-19-16)8-13(14)7-6-12-4-2-1-3-5-12/h1-5,8-10H,11H2
InChIKey VKNYGCKCEGJBLZ-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C16H10O3
Exact Mass 250.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPMFbSNz6b0
Name 6-(Phenylethynyl)-1,3-benzodioxole-5-carbaldehyde
Alternate Name(s) 6-(Phenylethynyl)benzo[d][1,3]dioxole-5-carbaldehyde 6-(2-phenylethynyl)-1,3-benzodioxole-5-carboxaldehyde 6-(2-phenylethynyl)-1,3-benzodioxole-5-carbaldehyde
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Formula C16H10O3
InChI InChI=1S/C16H10O3/c17-10-14-9-16-15(18-11-19-16)8-13(14)7-6-12-4-2-1-3-5-12/h1-5,8-10H,11H2
InChIKey VKNYGCKCEGJBLZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200086
Molecular Weight 250.253 g/mol
SMILES C1Oc2c(O1)cc(c(c2)C#Cc1ccccc1)C=O
SPLASH splash10-0udi-0590000000-ac0ae9661e83ffb8b433
Source of Spectrum ASC-354-555/SM7-7_1
Wiley ID 1763112