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9-Anthraceneacetic acid, 3-acetyl-1,2,3,4,5,8-hexahydro-7-(methoxycarbonyl)-, (.+-.)-
SpectraBase Compound ID GIKa14GMbzT
InChI InChI=1S/C20H22O5/c1-11(21)12-5-6-16-15(7-12)8-13-3-4-14(20(24)25-2)9-17(13)18(16)10-19(22)23/h4,8,12H,3,5-7,9-10H2,1-2H3,(H,22,23)
InChIKey ZXXVCBAHODSUNI-UHFFFAOYSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HEJ4fKGrEM
Name 9-Anthraceneacetic acid, 3-acetyl-1,2,3,4,5,8-hexahydro-7-(methoxycarbonyl)-, (.+-.)-
CAS Registry Number 120586-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-11(21)12-5-6-16-15(7-12)8-13-3-4-14(20(24)25-2)9-17(13)18(16)10-19(22)23/h4,8,12H,3,5-7,9-10H2,1-2H3,(H,22,23)
InChIKey ZXXVCBAHODSUNI-UHFFFAOYSA-N
Molecular Weight 342.391 g/mol
SMILES OC(Cc1c2CC(C(=O)OC)=CCc2cc2c1CCC(C(=O)C)C2)=O
SPLASH splash10-0401-1955000000-578e1426ae1efedb97a6
Source of Spectrum H-71-1263-44
Synonyms 3-Acetyl-1,2,3,4,5,8-hexahydro-7-(methoxycarbonyl)anthracene-9-acetic acid [3-acetyl-7-(methoxycarbonyl)-1,2,3,4,5,8-hexahydro-9-anthracenyl]acetic acid
Wiley ID 1336655