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2,6-Methano-1H-azecino[5,4-b]indole, vobasan-17-oic acid deriv.
SpectraBase Compound ID 2z1xyjP3CcT
InChI InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17+,19+/m0/s1
InChIKey FFVRRQMGGGTQRH-NDQWIJPBSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PU5eqDjn8
Name 2,6-Methano-1H-azecino[5,4-b]indole, vobasan-17-oic acid deriv.
CAS Registry Number 52389-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17+,19+/m0/s1
InChIKey FFVRRQMGGGTQRH-NDQWIJPBSA-N
Molecular Weight 354.450 g/mol
SMILES [nH]1c2c(c3c1C(C[C@]1([C@]([C@@](C3)(N(C[C@@]1(CC)[H])C)[H])(C(=O)OC)[H])[H])=O)cccc2
SPLASH splash10-001i-0902000000-59e1e6c9ab630fcffa59
Source of Spectrum B-28-1851-0
Wiley ID 1344718