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Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester
SpectraBase Compound ID Hhv1Zs6PJqe
InChI InChI=1S/C18H26O5/c1-21-15-12-9-11-14(17(15)18(20)23-3)10-7-5-4-6-8-13-16(19)22-2/h9,11-12H,4-8,10,13H2,1-3H3
InChIKey VLBBQCCRAJAEGD-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9S2xMj0DfN
Name Benzeneoctanoic acid, 3-methoxy-2-(methoxycarbonyl)-, methyl ester
CAS Registry Number 56554-81-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-21-15-12-9-11-14(17(15)18(20)23-3)10-7-5-4-6-8-13-16(19)22-2/h9,11-12H,4-8,10,13H2,1-3H3
InChIKey VLBBQCCRAJAEGD-UHFFFAOYSA-N
Molecular Weight 322.401 g/mol
SMILES COc1cccc(CCCCCCCC(=O)OC)c1C(=O)OC
SPLASH splash10-03dl-4930000000-3bed53307e40e31c2efd
Source of Spectrum EP-4955-0-0
Synonyms Methyl 2-methoxy-6-(8-methoxy-8-oxooctyl)benzoate 2-(8-keto-8-methoxy-octyl)-6-methoxy-benzoic acid methyl ester 2-Methoxy-6-(8-methoxy-8-oxooctyl)benzoic acid methyl ester Methyl 2-methoxy-6-(8-methoxy-8-oxidanylidene-octyl)benzoate
Wiley ID 1321694