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1H-Indolizino[8,7-B]indole, 1-[2-[(benzyloxy)methyl]butyl]-2,3,5,6,11,¹¹b-hexahydro-, stereoisomer
SpectraBase Compound ID 7E3yIwZV6ce
InChI InChI=1S/C26H32N2O/c1-2-19(17-29-18-20-8-4-3-5-9-20)16-21-12-14-28-15-13-23-22-10-6-7-11-24(22)27-25(23)26(21)28/h3-11,19,21,26-27H,2,12-18H2,1H3
InChIKey QUGXRAUVDPMFKO-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C26H32N2O
Exact Mass 388.251464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8fKoDlM37k
Name 1H-Indolizino[8,7-B]indole, 1-[2-[(benzyloxy)methyl]butyl]-2,3,5,6,11,¹¹b-hexahydro-, stereoisomer
Comments Computed using HOSE algorithm
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Exact Mass 388.251463657 u
Formula C26H32N2O
InChI InChI=1S/C26H32N2O/c1-2-19(17-29-18-20-8-4-3-5-9-20)16-21-12-14-28-15-13-23-22-10-6-7-11-24(22)27-25(23)26(21)28/h3-11,19,21,26-27H,2,12-18H2,1H3
InChIKey QUGXRAUVDPMFKO-UHFFFAOYSA-N
Molecular Weight 388.555 g/mol
SMILES C(C(COCC1=CC=CC=C1)CC)C1C2C3=C(C4=CC=CC=C4N3)CCN2CC1