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2-Cyclobuten-1-one, 4-(1-hexynyl)-4-hydroxy-3-methoxy-2-(phenylethynyl)-
SpectraBase Compound ID Ea6D3W855zg
InChI InChI=1S/C19H18O3/c1-3-4-5-9-14-19(21)17(20)16(18(19)22-2)13-12-15-10-7-6-8-11-15/h6-8,10-11,21H,3-5H2,1-2H3
InChIKey WWQXXEUJJFGOJA-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tgnaOOHu2H
Name 2-Cyclobuten-1-one, 4-(1-hexynyl)-4-hydroxy-3-methoxy-2-(phenylethynyl)-
CAS Registry Number 118070-31-8
Comments Removed - expert review: column bleed; A corrected record has been addded having SpectrumID: 1718224
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-3-4-5-9-14-19(21)17(20)16(18(19)22-2)13-12-15-10-7-6-8-11-15/h6-8,10-11,21H,3-5H2,1-2H3
InChIKey WWQXXEUJJFGOJA-UHFFFAOYSA-N
Molecular Weight 294.350 g/mol
SMILES OC1(C(C(=C1OC)C#Cc1ccccc1)=O)C#CCCCC
SPLASH splash10-0ukc-0290000000-bce7ee14354f3b3581c4
Source of Spectrum C-111-984-12
Synonyms 4-(1-hexynyl)-4-hydroxy-3-methoxy-2-(phenylethynyl)-2-cyclobuten-1-one 4-(hexynyl)-4-hydroxy-3-methoxy-2-(phenylethynyl)-2-cyclobuten-1-one
Wiley ID 1297547