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3-((1S,12bS)-1-Ethyl-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-1-yl)-2-hydroxyimino-propionic acid methyl ester
SpectraBase Compound ID Gk93zdHWXgQ
InChI InChI=1S/C21H27N3O3/c1-3-21(13-17(23-26)20(25)27-2)10-6-11-24-12-9-15-14-7-4-5-8-16(14)22-18(15)19(21)24/h4-5,7-8,19,22,26H,3,6,9-13H2,1-2H3/b23-17+/t19-,21+/m1/s1
InChIKey VQAQUXUWAQQZHU-ILTPKRODSA-N
Mol Weight 369.47 g/mol
Molecular Formula C21H27N3O3
Exact Mass 369.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ATRVMqGZN7
Name 3-((1S,12bS)-1-Ethyl-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-1-yl)-2-hydroxyimino-propionic acid methyl ester
CAS Registry Number 89396-80-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3O3
InChI InChI=1S/C21H27N3O3/c1-3-21(13-17(23-26)20(25)27-2)10-6-11-24-12-9-15-14-7-4-5-8-16(14)22-18(15)19(21)24/h4-5,7-8,19,22,26H,3,6,9-13H2,1-2H3/b23-17+/t19-,21+/m1/s1
InChIKey VQAQUXUWAQQZHU-ILTPKRODSA-N
Molecular Weight 369.465 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1([C@](C\C(=N/O)C(=O)OC)(CCCN1CC2)CC)[H]
SPLASH splash10-014i-0539000000-865fdddc94509eb08e4e
Source of Spectrum F-39-3746-(-)-4a
Wiley ID 1353752