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[1,1'-biphenyl]-4-ylmethyl pentanoate
SpectraBase Compound ID JPs3NT1aneT
InChI InChI=1S/C18H20O2/c1-2-3-9-18(19)20-14-15-10-12-17(13-11-15)16-7-5-4-6-8-16/h4-8,10-13H,2-3,9,14H2,1H3
InChIKey XCASBDLYJYSFES-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoTyHPCJXpl
Name [1,1'-biphenyl]-4-ylmethyl pentanoate
Appearance Colorless oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C18H20O2/c1-2-3-9-18(19)20-14-15-10-12-17(13-11-15)16-7-5-4-6-8-16/h4-8,10-13H,2-3,9,14H2,1H3
InChIKey XCASBDLYJYSFES-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Quality 158
Reported Formula C18H20O2
SMILES C1(=CC=C(C=C1)COC(CCCC)=O)C1=CC=CC=C1
SPLASH splash10-014i-1920000000-a716661b17b79f8ddafb
Source of Spectrum ACI-61-SM39-44 (DOI: 10.1002/anie.202211939)
Wiley ID 1899559