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4-Phenanthridinecarboxylic acid, 2,3,4,4a,5,6-hexahydro-6-oxo-5-(phenylmethyl)-, methyl ester, trans-
SpectraBase Compound ID FsSKXaujFTk
InChI InChI=1S/C22H21NO3/c1-26-22(25)19-13-7-12-17-16-10-5-6-11-18(16)21(24)23(20(17)19)14-15-8-3-2-4-9-15/h2-6,8-12,19-20H,7,13-14H2,1H3/t19-,20+/m0/s1
InChIKey NKSUPNDXNQRDNS-VQTJNVASSA-N
Mol Weight 347.41 g/mol
Molecular Formula C22H21NO3
Exact Mass 347.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgGzbMf4VdO
Name 4-Phenanthridinecarboxylic acid, 2,3,4,4a,5,6-hexahydro-6-oxo-5-(phenylmethyl)-, methyl ester, trans-
Alternate Name(s) Methyl (4S,4aS)-5-benzyl-6-oxo-2,3,4,4a,5,6-hexahydro-4-phenanthridinecarboxylate Methyl 5-benzyl-6-oxo-2,3,4,4a,5,6-hexahydrophenanthridine-4-carboxylate
CAS Registry Number 130259-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO3
InChI InChI=1S/C22H21NO3/c1-26-22(25)19-13-7-12-17-16-10-5-6-11-18(16)21(24)23(20(17)19)14-15-8-3-2-4-9-15/h2-6,8-12,19-20H,7,13-14H2,1H3/t19-,20+/m0/s1
InChIKey NKSUPNDXNQRDNS-VQTJNVASSA-N
Molecular Weight 347.414 g/mol
SMILES [C@@]12(N(C(c3c(C2=CCC[C@@]1(C(=O)OC)[H])cccc3)=O)Cc1ccccc1)[H]
SPLASH splash10-01oy-4395000000-e4a862908485f8c9a39a
Source of Spectrum F-46-4017-38
Wiley ID 1340123