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2-(3-methyl-4-propan-2-yl-phenyl)ethanoic acid
SpectraBase Compound ID Hq0meuMg1T7
InChI InChI=1S/C12H16O2/c1-8(2)11-5-4-10(6-9(11)3)7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKey FJSBJJWXABHLKX-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63pOvYrC91s
Name 2-(3-methyl-4-propan-2-yl-phenyl)ethanoic acid
Alternate Name(s) 2-(3-methyl-4-propan-2-ylphenyl)acetic acid 2-(4-isopropyl-3-methyl-phenyl)acetic acid
CAS Registry Number 38770-70-6
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-8(2)11-5-4-10(6-9(11)3)7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKey FJSBJJWXABHLKX-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES OC(Cc1ccc(c(c1)C)C(C)C)=O
SPLASH splash10-000i-0900000000-f1f799472fc330cf1571
Source of Spectrum AH-121-233-19
Wiley ID 1188765