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9-Anthraceneacetic acid, 3-acetyl-1,2,3,4,5,8-hexahydro-7-(methoxycarbonyl)-, methyl ester, (.+-.)-
SpectraBase Compound ID KDMY6qYRpbM
InChI InChI=1S/C21H24O5/c1-12(22)13-6-7-17-16(8-13)9-14-4-5-15(21(24)26-3)10-18(14)19(17)11-20(23)25-2/h5,9,13H,4,6-8,10-11H2,1-3H3
InChIKey GCCHZBGKEWKDFH-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUKDkKLlpLS
Name 9-Anthraceneacetic acid, 3-acetyl-1,2,3,4,5,8-hexahydro-7-(methoxycarbonyl)-, methyl ester, (.+-.)-
CAS Registry Number 120586-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-12(22)13-6-7-17-16(8-13)9-14-4-5-15(21(24)26-3)10-18(14)19(17)11-20(23)25-2/h5,9,13H,4,6-8,10-11H2,1-3H3
InChIKey GCCHZBGKEWKDFH-UHFFFAOYSA-N
Molecular Weight 356.418 g/mol
SMILES c1(c2CC(C(=O)OC)=CCc2cc2c1CCC(C(=O)C)C2)CC(=O)OC
SPLASH splash10-004i-1965000000-5c2941e473df623362ff
Source of Spectrum H-71-1263-45
Synonyms Methyl 3-acetyl-1,2,3,4,5,8-hexahydro-7-(methoxycarbonyl)anthracene-9-acetate Methyl 6-acetyl-9-(2-methoxy-2-oxoethyl)-1,4,5,6,7,8-hexahydro-2-anthracenecarboxylate
Wiley ID 1345919