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rac-6,6-Dimethyl-3-[[N-(anthracen-9-ylmethyl)-N-methylamido]methyl]-5-oxoheptanoic acid
SpectraBase Compound ID 7C6r4dHD91v
InChI InChI=1S/C27H31NO4/c1-27(2,3)24(29)13-18(15-26(31)32)14-25(30)28(4)17-23-21-11-7-5-9-19(21)16-20-10-6-8-12-22(20)23/h5-12,16,18H,13-15,17H2,1-4H3,(H,31,32)
InChIKey HNYQQJMHCREBRF-UHFFFAOYSA-N
Mol Weight 433.55 g/mol
Molecular Formula C27H31NO4
Exact Mass 433.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TJBYnu3O5D
Name rac-6,6-Dimethyl-3-[[N-(anthracen-9-ylmethyl)-N-methylamido]methyl]-5-oxoheptanoic acid
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Formula C27H31NO4
InChI InChI=1S/C27H31NO4/c1-27(2,3)24(29)13-18(15-26(31)32)14-25(30)28(4)17-23-21-11-7-5-9-19(21)16-20-10-6-8-12-22(20)23/h5-12,16,18H,13-15,17H2,1-4H3,(H,31,32)
InChIKey HNYQQJMHCREBRF-UHFFFAOYSA-N
Molecular Weight 433.548 g/mol
SMILES OC(CC(CC(N(Cc1c2c(cccc2)cc2c1cccc2)C)=O)CC(C(C)(C)C)=O)=O
SPLASH splash10-006x-8930100000-c1104a676ea74fd422bc
Source of Spectrum F-52-14596-33
Synonyms 3-{2-[(9-anthrylmethyl)(methyl)amino]-2-oxoethyl}-6,6-dimethyl-5-oxoheptanoic acid
Wiley ID 799658