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2-Buten-1-one, 1-[4-(acetyloxy)-2-hydroxyphenyl]-3-methyl-
SpectraBase Compound ID K3mB2k7yvYB
InChI InChI=1S/C13H14O4/c1-8(2)6-12(15)11-5-4-10(7-13(11)16)17-9(3)14/h4-7,16H,1-3H3
InChIKey CTIVJDKTHCRADV-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9I0qt1isW3P
Name 2-Buten-1-one, 1-[4-(acetyloxy)-2-hydroxyphenyl]-3-methyl-
CAS Registry Number 127661-52-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-8(2)6-12(15)11-5-4-10(7-13(11)16)17-9(3)14/h4-7,16H,1-3H3
InChIKey CTIVJDKTHCRADV-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES Oc1c(C(C=C(C)C)=O)ccc(OC(=O)C)c1
SPLASH splash10-004i-0920000000-dc4b59c2118442b9853c
Source of Spectrum F-45-7599-9
Synonyms 1-(4-Acetoxy-2-hydroxyphenyl)-3-methyl-2-buten-1-one 3-Hydroxy-4-(3-methyl-2-butenoyl)phenyl acetate Acetic acid[3-hydroxy-4-(3-methyl-1-oxobut-2-enyl)phenyl]ester Acetic acid[3-hydroxy-4-(3-methylbut-2-enoyl)phenyl]ester [3-hydroxy-4-(3-methylbut-2-enoyl)phenyl]acetate [4-(3-methylbut-2-enoyl)-3-oxidanyl-phenyl]ethanoate Acetic acid [3-hydroxy-4-(3-methyl-1-oxobut-2-enyl)phenyl] ester [3-hydroxy-4-(3-methylbut-2-enoyl)phenyl] acetate [4-(3-methylbut-2-enoyl)-3-oxidanyl-phenyl] ethanoate
Wiley ID 1235896