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2H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylic acid, 7-ethyl-1,4,7,8,9,10-hexahydro-, methyl ester, [7R-(7R*,9S*)]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylic acid, 7-ethyl-1,4,7,8,9,10-hexahydro-, methyl ester, [7R-(7R*,9S*)]-
SpectraBase Compound ID 62DFzLbNGEF
InChI InChI=1S/C21H26N2O2/c1-3-21-10-6-11-23(14-21)12-9-16-15-7-4-5-8-18(15)22-19(16)17(13-21)20(24)25-2/h4-8,10,17,22H,3,9,11-14H2,1-2H3/t17-,21+/m1/s1
InChIKey DWRWMNKQJGGHFK-UTKZUKDTSA-N
Mol Weight 338.45 g/mol
Molecular Formula C21H26N2O2
Exact Mass 338.199428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LElgVnyFsmg
Name 2H-3,7-Methanoazacycloundecino[5,4-B]indole-9-carboxylic acid, 7-ethyl-1,4,7,8,9,10-hexahydro-, methyl ester, [7R-(7R*,9S*)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.199428083 u
Formula C21H26N2O2
InChI InChI=1S/C21H26N2O2/c1-3-21-10-6-11-23(14-21)12-9-16-15-7-4-5-8-18(15)22-19(16)17(13-21)20(24)25-2/h4-8,10,17,22H,3,9,11-14H2,1-2H3/t17-,21+/m1/s1
InChIKey DWRWMNKQJGGHFK-UTKZUKDTSA-N
Molecular Weight 338.451 g/mol
SMILES C12=C(C3=CC=CC=C3N2)CCN2CC=C[C@@](C[C@]1(C(=O)OC)[H])(C2)CC