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methyl (1S,4aS)-7-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methyl-1H,3H,4H,4aH,7H-pyrano[3,4-c]pyridine-5-carboxylate
SpectraBase Compound ID En96PNca2VD
InChI InChI=1S/C22H26N2O4/c1-14-18-12-24(9-8-15-11-23-20-7-5-4-6-16(15)20)13-19(22(25)27-3)17(18)10-21(26-2)28-14/h4-7,11-14,17,21,23H,8-10H2,1-3H3/t14-,17-,21?/m0/s1
InChIKey PSBUDLDXABDLNP-WOSXXJRLSA-N
Mol Weight 382.46 g/mol
Molecular Formula C22H26N2O4
Exact Mass 382.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qTBC1LHZD2
Name methyl (1S,4aS)-7-[2-(1H-indol-3-yl)ethyl]-3-methoxy-1-methyl-1H,3H,4H,4aH,7H-pyrano[3,4-c]pyridine-5-carboxylate
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Formula C22H26N2O4
InChI InChI=1S/C22H26N2O4/c1-14-18-12-24(9-8-15-11-23-20-7-5-4-6-16(15)20)13-19(22(25)27-3)17(18)10-21(26-2)28-14/h4-7,11-14,17,21,23H,8-10H2,1-3H3/t14-,17-,21?/m0/s1
InChIKey PSBUDLDXABDLNP-WOSXXJRLSA-N
Ionization Type EI
Molecular Weight 382.460 g/mol
Reported Formula C22H26O4N2
SMILES [nH]1cc(c2c1cccc2)CCN1C=C2[C@@](C(=C1)C(OC)=O)(CC(O[C@]2(C)[H])OC)[H]
SPLASH splash10-0006-0906000000-f8d37f8cb5cccb69e60e
Source of Spectrum WO2017164407A1
Wiley ID 1855480