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2-isopropylbenzoic acid methyl ester
SpectraBase Compound ID FTBEZmlOyGK
InChI InChI=1S/C11H14O2/c1-8(2)9-6-4-5-7-10(9)11(12)13-3/h4-8H,1-3H3
InChIKey IXWYTYPBELXGLA-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsBTbY2yRp0
Name 2-isopropylbenzoic acid methyl ester
CAS Registry Number 6623-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-8(2)9-6-4-5-7-10(9)11(12)13-3/h4-8H,1-3H3
InChIKey IXWYTYPBELXGLA-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES COC(=O)c1c(C(C)C)cccc1
SPLASH splash10-001i-1900000000-660304b496649db06ba5
Source of Spectrum KC-1976-488-0
Synonyms 2-Propan-2-ylbenzoic acid methyl ester Methyl 2-isopropylbenzoate Methyl 2-propan-2-ylbenzoate
Wiley ID 1174095