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3-(2-Methylphenyl)-4-methyl-2-pentenoic acid
SpectraBase Compound ID 8Vn5YODrZoe
InChI InChI=1S/C13H16O2/c1-9(2)12(8-13(14)15)11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H,14,15)/b12-8+
InChIKey YXWCYTPMYWXQBG-XYOKQWHBSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XQ0QOOZa7D
Name 3-(2-Methylphenyl)-4-methyl-2-pentenoic acid
CAS Registry Number 100994-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-9(2)12(8-13(14)15)11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H,14,15)/b12-8+
InChIKey YXWCYTPMYWXQBG-XYOKQWHBSA-N
Molecular Weight 204.269 g/mol
SMILES OC(\C=C\(c1c(C)cccc1)C(C)C)=O
SPLASH splash10-0gdi-1930000000-0653f769fb90c347553c
Source of Spectrum J-51-1405-9
Synonyms (2E)-4-methyl-3-(2-methylphenyl)-2-pentenoic acid (E)-4-methyl-3-(2-methylphenyl)-2-pentenoic acid (E)-4-methyl-3-(2-methylphenyl)pent-2-enoic acid
Wiley ID 1202083