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p-(3-hydroxy-3-methyl-1-butynyl)benzoic acid, methyl ester
SpectraBase Compound ID Ge5vYVh3ZQs
InChI InChI=1S/C13H14O3/c1-13(2,15)9-8-10-4-6-11(7-5-10)12(14)16-3/h4-7,15H,1-3H3
InChIKey HPQVSXSPVIQMCE-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VT8H6SdqJH
Name Methyl 4-(3-hydroxy-3-methyl-1-butynyl)benzoate
Alternate Name(s) 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoic acid methyl ester Benzoic acid, 4-(3-hydroxy-3-methyl-1-butynyl)-, methyl ester Methyl 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoate Methyl 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoate 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid methyl ester
CAS Registry Number 33577-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-13(2,15)9-8-10-4-6-11(7-5-10)12(14)16-3/h4-7,15H,1-3H3
InChIKey HPQVSXSPVIQMCE-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES OC(C#Cc1ccc(C(=O)OC)cc1)(C)C
SPLASH splash10-0udi-6690000000-de6a3b800f635e302f9a
Source of Spectrum AD-0-2532-0
Wiley ID 1428245