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2-Cyclobuten-1-one, 4-hydroxy-2,3-dimethoxy-4-(3-phenyl-1-propynyl)-
SpectraBase Compound ID 8XjK8YfT9uF
InChI InChI=1S/C15H14O4/c1-18-12-13(16)15(17,14(12)19-2)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,17H,9H2,1-2H3
InChIKey IPRBTISUFOEHAW-UHFFFAOYSA-N
Mol Weight 258.27 g/mol
Molecular Formula C15H14O4
Exact Mass 258.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2skgWefBQX
Name 2-Cyclobuten-1-one, 4-hydroxy-2,3-dimethoxy-4-(3-phenyl-1-propynyl)-
CAS Registry Number 113976-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O4
InChI InChI=1S/C15H14O4/c1-18-12-13(16)15(17,14(12)19-2)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,17H,9H2,1-2H3
InChIKey IPRBTISUFOEHAW-UHFFFAOYSA-N
Molecular Weight 258.273 g/mol
SMILES OC1(C(OC)=C(C1=O)OC)C#CCc1ccccc1
SPLASH splash10-004i-2900000000-cd2b06a63ac2fc9f4dab
Source of Spectrum J-53-2480-2
Synonyms 2,3-Dimethoxy-4-oxidanyl-4-(3-phenylprop-1-ynyl)cyclobut-2-en-1-one 4-Hydroxy-2,3-dimethoxy-4-(3-phenylprop-1-ynyl)-1-cyclobut-2-enone 4-Hydroxy-2,3-dimethoxy-4-(3-phenylprop-1-ynyl)cyclobut-2-en-1-one
Wiley ID 1261842