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2-Benzylbenzyl pentanoate
SpectraBase Compound ID 9fGKC8MzKmH
InChI InChI=1S/C19H22O2/c1-2-3-13-19(20)21-15-18-12-8-7-11-17(18)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3
InChIKey LKFCWMASHHWPRU-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39jWmPcHAvs
Name 2-Benzylbenzyl pentanoate
Appearance Light-yellow oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.161979946 u
Formula C19H22O2
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C19H22O2/c1-2-3-13-19(20)21-15-18-12-8-7-11-17(18)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3
InChIKey LKFCWMASHHWPRU-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Quality 119
Reported Formula C19H22O2
SMILES C1(=CC=CC=C1)CC1=C(C=CC=C1)COC(CCCC)=O
SPLASH splash10-004i-2900000000-10425eaf8c2e8b5a422f
Source of Spectrum ACI-61-SM37-41 (DOI: 10.1002/anie.202211939)
Wiley ID 1899556