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2-Propenoic acid, 3-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl)-, methyl ester, trans-
SpectraBase Compound ID 8juSM7oG0Ws
InChI InChI=1S/C19H22N2O2/c1-23-17(22)9-8-13-5-4-11-21-12-10-15-14-6-2-3-7-16(14)20-18(15)19(13)21/h2-3,6-9,13,19-20H,4-5,10-12H2,1H3/b9-8+/t13-,19-/m1/s1
InChIKey QOZRJLSKFSCNHF-QUEUSCEUSA-N
Mol Weight 310.4 g/mol
Molecular Formula C19H22N2O2
Exact Mass 310.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 13f7EMGPv7y
Name 2-Propenoic acid, 3-(1,2,3,4,6,7,12,12B-octahydroindolo[2,3-A]quinolizin-1-yl)-, methyl ester, trans-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.168127954 u
Formula C19H22N2O2
InChI InChI=1S/C19H22N2O2/c1-23-17(22)9-8-13-5-4-11-21-12-10-15-14-6-2-3-7-16(14)20-18(15)19(13)21/h2-3,6-9,13,19-20H,4-5,10-12H2,1H3/b9-8+/t13-,19-/m1/s1
InChIKey QOZRJLSKFSCNHF-QUEUSCEUSA-N
Molecular Weight 310.397 g/mol
SMILES C12=C(C=3C=CC=CC3N2)CCN2[C@@]1([C@@](\C=C\C(=O)OC)(CCC2)[H])[H]