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Thymyl 2-methylbutanoate
SpectraBase Compound ID Kwe9udSBkik
InChI InChI=1S/C15H22O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h7-10,12H,6H2,1-5H3
InChIKey NBUBCJBQVQEAAC-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fq78gKYeuyu
Name Thymyl 2-methylbutanoate
CAS Registry Number 69844-32-2
Classification Aromatic monoterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h7-10,12H,6H2,1-5H3
InChIKey NBUBCJBQVQEAAC-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
Number of Peaks 10
SMILES C(C(C)CC)(Oc1c(ccc(c1)C)C(C)C)=O
SPLASH splash10-0pbi-9800000000-3eb49a4f9460868d0b55
Source of Spectrum FF-22-482-91 (DOI: 10.1002/ffj.1824)
Synonyms Thymyl 2-methylbutyrate Butanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester 2-Isopropyl-5-methylphenyl 2-methylbutanoate 2-Methylbutanoic acid (5-methyl-2-propan-2-ylphenyl) ester (5-methyl-2-propan-2-ylphenyl) 2-methylbutanoate (2-isopropyl-5-methyl-phenyl) 2-methylbutanoate (5-methyl-2-propan-2-yl-phenyl) 2-methylbutanoate
Wiley ID 1775488