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Anthracen-9-ylmethyl 5-methoxypentanoate
SpectraBase Compound ID 32qUYW7Pmnb
InChI InChI=1S/C21H22O3/c1-23-13-7-6-12-21(22)24-15-20-18-10-4-2-8-16(18)14-17-9-3-5-11-19(17)20/h2-5,8-11,14H,6-7,12-13,15H2,1H3
InChIKey FUJFUGKCAHWNLX-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3thktKRSuhO
Name Anthracen-9-ylmethyl 5-methoxypentanoate
Appearance Light-yellow oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.156894565 u
Formula C21H22O3
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C21H22O3/c1-23-13-7-6-12-21(22)24-15-20-18-10-4-2-8-16(18)14-17-9-3-5-11-19(17)20/h2-5,8-11,14H,6-7,12-13,15H2,1H3
InChIKey FUJFUGKCAHWNLX-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 322.404 g/mol
Quality 173
Reported Formula C21H22O3
SMILES C12=C(C(=C3C(=C2)C=CC=C3)COC(CCCCOC)=O)C=CC=C1
SPLASH splash10-006x-1903000000-84744c1ade28fa289c71
Source of Spectrum ACI-61-SM43-54 (DOI: 10.1002/anie.202211939)
Wiley ID 1899568