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Simulansamide
SpectraBase Compound ID 3mWMe6qX7if
InChI InChI=1S/C22H23NO6/c1-23(12-24)20-14(15-8-9-17(26-2)22(29-5)21(15)25)7-6-13-10-18(27-3)19(28-4)11-16(13)20/h6-12,25H,1-5H3
InChIKey QNIQCCMVUPVMMU-UHFFFAOYSA-N
Mol Weight 397.43 g/mol
Molecular Formula C22H23NO6
Exact Mass 397.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIc5mW7boP4
Name Simulansamide
Alternate Name(s) N-[2-(2-hydroxy-3,4-dimethoxyphenyl)-6,7-dimethoxy-1-naphthalenyl]-N-methylformamide N-[2-(2-hydroxy-3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalen-1-yl]-N-methylformamide N-[2-(3,4-dimethoxy-2-oxidanyl-phenyl)-6,7-dimethoxy-naphthalen-1-yl]-N-methyl-methanamide
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Formula C22H23NO6
InChI InChI=1S/C22H23NO6/c1-23(12-24)20-14(15-8-9-17(26-2)22(29-5)21(15)25)7-6-13-10-18(27-3)19(28-4)11-16(13)20/h6-12,25H,1-5H3
InChIKey QNIQCCMVUPVMMU-UHFFFAOYSA-N
Molecular Weight 397.427 g/mol
SMILES Oc1c(-c2c(c3cc(OC)c(cc3cc2)OC)N(C=O)C)ccc(OC)c1OC
SPLASH splash10-0002-0109000000-d8fd54c929b466218549
Source of Spectrum QA-43-197-1
Wiley ID 862189