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2-(3-Ethylidene-4-oxo-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl)-malonic acid dimethyl ester
SpectraBase Compound ID ADyBtd4tjv2
InChI InChI=1S/C22H24N2O5/c1-4-12-15(18(21(26)28-2)22(27)29-3)11-17-19-14(9-10-24(17)20(12)25)13-7-5-6-8-16(13)23-19/h4-8,15,17-18,23H,9-11H2,1-3H3/b12-4+/t15-,17-/m0/s1
InChIKey DTQDTPMEAWIAMP-CARUMRSHSA-N
Mol Weight 396.44 g/mol
Molecular Formula C22H24N2O5
Exact Mass 396.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ANJpO1R7zn
Name 2-(3-Ethylidene-4-oxo-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl)-malonic acid dimethyl ester
CAS Registry Number 61756-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O5
InChI InChI=1S/C22H24N2O5/c1-4-12-15(18(21(26)28-2)22(27)29-3)11-17-19-14(9-10-24(17)20(12)25)13-7-5-6-8-16(13)23-19/h4-8,15,17-18,23H,9-11H2,1-3H3/b12-4+/t15-,17-/m0/s1
InChIKey DTQDTPMEAWIAMP-CARUMRSHSA-N
Molecular Weight 396.443 g/mol
SMILES [nH]1c2ccccc2c2CCN3[C@](c12)(C[C@@](\C(C3=O)=C\C)(C(C(=O)OC)C(=O)OC)[H])[H]
SPLASH splash10-00kb-0249000000-a65bc261315d196cf729
Source of Spectrum K-109-3836-19b
Wiley ID 1367461