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2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-8-methoxy-5-(3-oxobutyl)-2-[(trichloroacetyl)oxy]- , (.+-.)-
SpectraBase Compound ID CJnMr6s9iMl
InChI InChI=1S/C18H19Cl3O6/c1-10(22)3-4-11-5-6-14(26-2)13-9-17(15(23)24,8-7-12(11)13)27-16(25)18(19,20)21/h5-6H,3-4,7-9H2,1-2H3,(H,23,24)
InChIKey NNNYFKSXWYXYEA-UHFFFAOYSA-N
Mol Weight 437.7 g/mol
Molecular Formula C18H19Cl3O6
Exact Mass 436.024721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8htaWY9t5Rs
Name 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-8-methoxy-5-(3-oxobutyl)-2-[(trichloroacetyl)oxy]- , (.+-.)-
CAS Registry Number 80535-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19Cl3O6
InChI InChI=1S/C18H19Cl3O6/c1-10(22)3-4-11-5-6-14(26-2)13-9-17(15(23)24,8-7-12(11)13)27-16(25)18(19,20)21/h5-6H,3-4,7-9H2,1-2H3,(H,23,24)
InChIKey NNNYFKSXWYXYEA-UHFFFAOYSA-N
Molecular Weight 437.703 g/mol
SMILES OC(C1(Cc2c(ccc(c2CC1)CCC(=O)C)OC)OC(C(Cl)(Cl)Cl)=O)=O
SPLASH splash10-00xr-0950000000-d3606005d872556460e7
Source of Spectrum B-34-1896-0
Synonyms 8-Methoxy-5-(3'-oxobutyl)-2-trichloroacetoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid 8-Methoxy-5-(3-oxobutyl)-2-[(trichloroacetyl)oxy]-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid
Wiley ID 1383370