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4-Phenanthridinecarboxylic acid, 3,4,4a,5,6,10b-hexahydro-6-oxo-5-(phenylmethyl)-, methyl ester, (4.alpha.,4a.beta.,10b.beta.)-

View entire compound with spectra: 1 MS (GC)

4-Phenanthridinecarboxylic acid, 3,4,4a,5,6,10b-hexahydro-6-oxo-5-(phenylmethyl)-, methyl ester, (4.alpha.,4a.beta.,10b.beta.)-
SpectraBase Compound ID 9UDIndQpG0n
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/h2-12,17,19-20H,13-14H2,1H3/t17-,19-,20+/m0/s1
InChIKey MEUVSSOZQFNYQW-YSIASYRMSA-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 B2vsjngRNSH
Name 4-Phenanthridinecarboxylic acid, 3,4,4a,5,6,10b-hexahydro-6-oxo-5-(phenylmethyl)-, methyl ester, (4.alpha.,4a.beta.,10b.beta.)-
CAS Registry Number 130259-83-5
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/h2-12,17,19-20H,13-14H2,1H3/t17-,19-,20+/m0/s1
InChIKey MEUVSSOZQFNYQW-YSIASYRMSA-N
Molecular Weight 347.414 g/mol
SMILES C1(N([C@@]2([C@](c3ccccc13)(C=CC[C@@]2(C(=O)OC)[H])[H])[H])Cc1ccccc1)=O
SPLASH splash10-0007-9018000000-f3969853aa529daba937
Source of Spectrum F-46-4016-37
Synonyms Methyl (4S,4aR,10bS)-5-benzyl-6-oxo-3,4,4a,5,6,10b-hexahydro-4-phenanthridinecarboxylate Methyl 5-benzyl-6-oxo-3,4,4a,5,6,10b-hexahydrophenanthridine-4-carboxylate
Wiley ID 1340124