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2-Naphthaleneacetic acid, 3-chloro-7-(ethoxycarbonyl)-1,4-dihydro-6-methoxy-8-methyl-1,4-dioxo- , methyl ester
SpectraBase Compound ID 5vrzY1Lyb1v
InChI InChI=1S/C18H17ClO7/c1-5-26-18(23)14-8(2)13-9(6-11(14)24-3)17(22)15(19)10(16(13)21)7-12(20)25-4/h6H,5,7H2,1-4H3
InChIKey XDJOTHIJJIAOBY-UHFFFAOYSA-N
Mol Weight 380.78 g/mol
Molecular Formula C18H17ClO7
Exact Mass 380.066281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GP1fEtjBFzT
Name 2-Naphthaleneacetic acid, 3-chloro-7-(ethoxycarbonyl)-1,4-dihydro-6-methoxy-8-methyl-1,4-dioxo- , methyl ester
CAS Registry Number 80750-94-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClO7
InChI InChI=1S/C18H17ClO7/c1-5-26-18(23)14-8(2)13-9(6-11(14)24-3)17(22)15(19)10(16(13)21)7-12(20)25-4/h6H,5,7H2,1-4H3
InChIKey XDJOTHIJJIAOBY-UHFFFAOYSA-N
Molecular Weight 380.780 g/mol
SMILES C=1(C(c2c(c(C(=O)OCC)c(cc2C(C1Cl)=O)OC)C)=O)CC(=O)OC
SPLASH splash10-0uei-0009000000-c41d675d0d5a8ada591d
Source of Spectrum B-34-2420-0
Synonyms Ethyl 6-chloro-3-methoxy-7-(2-methoxy-2-oxoethyl)-1-methyl-5,8-dioxo-5,8-dihydro-2-naphthalenecarboxylate Methyl 2-chloro-6-ethoxycarbonyl-7-methoxy-5-methyl-1,4-naphthoquinon-3-ylacetat
Wiley ID 1359558