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(phenylmethyl) N-[(1R,3S,10aR)-1-oxidanyl-4-oxidanylidene-1-phenyl-2,3,6,7,8,9,10,10a-octahydropyrido[1,2-a]azepin-3-yl]carbamate

View entire compound with spectra: 1 MS (GC)

(phenylmethyl) N-[(1R,3S,10aR)-1-oxidanyl-4-oxidanylidene-1-phenyl-2,3,6,7,8,9,10,10a-octahydropyrido[1,2-a]azepin-3-yl]carbamate
SpectraBase Compound ID 4inJn6FEx2G
InChI InChI=1S/C24H28N2O4/c27-22-20(25-23(28)30-17-18-10-4-1-5-11-18)16-24(29,19-12-6-2-7-13-19)21-14-8-3-9-15-26(21)22/h1-2,4-7,10-13,20-21,29H,3,8-9,14-17H2,(H,25,28)/t20-,21+,24+/m0/s1
InChIKey SGPOMBRYANSCEZ-YZUZCNPQSA-N
Mol Weight 408.5 g/mol
Molecular Formula C24H28N2O4
Exact Mass 408.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lbxjJ8tjNP
Name (phenylmethyl) N-[(1R,3S,10aR)-1-oxidanyl-4-oxidanylidene-1-phenyl-2,3,6,7,8,9,10,10a-octahydropyrido[1,2-a]azepin-3-yl]carbamate
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Formula C24H28N2O4
InChI InChI=1S/C24H28N2O4/c27-22-20(25-23(28)30-17-18-10-4-1-5-11-18)16-24(29,19-12-6-2-7-13-19)21-14-8-3-9-15-26(21)22/h1-2,4-7,10-13,20-21,29H,3,8-9,14-17H2,(H,25,28)/t20-,21+,24+/m0/s1
InChIKey SGPOMBRYANSCEZ-YZUZCNPQSA-N
Molecular Weight 408.498 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]1(C(N2[C@@]([C@@](C1)(c1ccccc1)O)(CCCCC2)[H])=O)[H]
SPLASH splash10-0005-9100000000-5188a900f67fc117c292
Source of Spectrum QC-9-4471-8
Synonyms benzyl N-[(1R,3S,10aR)-1-hydroxy-4-oxo-1-phenyl-2,3,6,7,8,9,10,10a-octahydropyrido[1,2-a]azepin-3-yl]carbamate N-[(1R,3S,10aR)-1-hydroxy-4-keto-1-phenyl-2,3,6,7,8,9,10,10a-octahydropyrid[1,2-a]azepin-3-yl]carbamic acid benzyl ester N-[(1R,3S,10aR)-1-hydroxy-4-oxo-1-phenyl-2,3,6,7,8,9,10,10a-octahydropyrido[1,2-a]azepin-3-yl]carbamic acid (phenylmethyl) ester
Wiley ID 870937