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Hexanedioic acid, 2-methyl-3-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, dimethyl ester, [2S-[2R*(2S*,3R*)]]-
SpectraBase Compound ID LJjytQTRYsP
InChI InChI=1S/C20H26O6/c1-12(20(23)26-4)15(9-10-18(21)25-3)17-7-5-13-11-14(24-2)6-8-16(13)19(17)22/h6,8,11-12,15,17H,5,7,9-10H2,1-4H3/t12-,15-,17?/m0/s1
InChIKey ILZFLKVCMBKCQY-BOFKDWQUSA-N
Mol Weight 362.42 g/mol
Molecular Formula C20H26O6
Exact Mass 362.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmHsZ2lfgE2
Name Hexanedioic acid, 2-methyl-3-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, dimethyl ester, [2S-[2R*(2S*,3R*)]]-
Alternate Name(s) Dimethyl (2S,3R)-3-(6-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)-2-methylhexanedioate Dimethyl 2=methyl-3-[1',2',3',4'-tetrahydro-6'-methoxy-1'-oxonaphthalen-2'-yl]hexanedioate
CAS Registry Number 125285-45-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O6
InChI InChI=1S/C20H26O6/c1-12(20(23)26-4)15(9-10-18(21)25-3)17-7-5-13-11-14(24-2)6-8-16(13)19(17)22/h6,8,11-12,15,17H,5,7,9-10H2,1-4H3/t12-,15-,17?/m0/s1
InChIKey ILZFLKVCMBKCQY-BOFKDWQUSA-N
Molecular Weight 362.422 g/mol
SMILES C1(C([C@]([C@@](C(=O)OC)(C)[H])(CCC(=O)OC)[H])CCc2c1ccc(OC)c2)=O
SPLASH splash10-004i-0900000000-b1c5a5a7ffd47c98af86
Source of Spectrum H-72-730-20
Wiley ID 1349604