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3-Methoxy-cuminyl isobutyrate

View entire compound with spectra: 2 MS (GC)

3-Methoxy-cuminyl isobutyrate
SpectraBase Compound ID BV2EyrhaX8c
InChI InChI=1S/C15H22O3/c1-10(2)13-7-6-12(8-14(13)17-5)9-18-15(16)11(3)4/h6-8,10-11H,9H2,1-5H3
InChIKey JVOZDVTWETUPPI-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67FciGBPNGC
Name 3-Methoxy-cuminyl isobutyrate
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 250.156894565 u
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-10(2)13-7-6-12(8-14(13)17-5)9-18-15(16)11(3)4/h6-8,10-11H,9H2,1-5H3
InChIKey JVOZDVTWETUPPI-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
Number of Peaks 12
SMILES COc1c(ccc(c1)COC(C(C)C)=O)C(C)C
SPLASH splash10-001c-5890000000-70bde7d253c7c6052398
Source of Spectrum FF-22-485-118 (DOI: 10.1002/ffj.1824)
Synonyms 4-Isopropyl-3-methoxybenzyl isobutyrate 2-Methylpropanoic acid (3-methoxy-4-propan-2-ylphenyl)methyl ester (3-methoxy-4-propan-2-ylphenyl)methyl 2-methylpropanoate (4-isopropyl-3-methoxy-phenyl)methyl 2-methylpropanoate (3-methoxy-4-propan-2-yl-phenyl)methyl 2-methylpropanoate
Wiley ID 1775485