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2,3-Di-tert-butoxy-4-hydroxy-4-(3-phenyl-1-propynyl)-cyclobut-2-en-1-one
SpectraBase Compound ID EgY77FU0gYp
InChI InChI=1S/C21H26O4/c1-19(2,3)24-16-17(22)21(23,18(16)25-20(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-9,11-12,23H,13H2,1-6H3
InChIKey JBMZKXRGNATRJQ-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hxMi9e6EcA
Name 2,3-Di-tert-butoxy-4-hydroxy-4-(3-phenyl-1-propynyl)-cyclobut-2-en-1-one
Alternate Name(s) 2,3-Ditert-butoxy-4-hydroxy-4-(3-phenyl-1-propynyl)-2-cyclobuten-1-one
CAS Registry Number 124175-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-19(2,3)24-16-17(22)21(23,18(16)25-20(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-9,11-12,23H,13H2,1-6H3
InChIKey JBMZKXRGNATRJQ-UHFFFAOYSA-N
Molecular Weight 342.435 g/mol
SMILES OC1(C(=C(OC(C)(C)C)C1=O)OC(C)(C)C)C#CCc1ccccc1
SPLASH splash10-0a4i-9110000000-b9955e97be706c3811cb
Source of Spectrum J-55-1181-11
Wiley ID 1336803