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(4aR,6aS,12aS)-6a-p-Tolyl-1,3,4,4a,5,12a-hexahydro-2H,6aH-benzo[4,5][1,3]oxazino[2,3-a]isoindol-11-one
SpectraBase Compound ID 9hyaywBSwqC
InChI InChI=1S/C22H23NO2/c1-15-10-12-17(13-11-15)22-19-8-4-3-7-18(19)21(24)23(22)20-9-5-2-6-16(20)14-25-22/h3-4,7-8,10-13,16,20H,2,5-6,9,14H2,1H3/t16-,20-,22-/m0/s1
InChIKey SWAQSNXZQFHMRA-BUKVSMQUSA-N
Mol Weight 333.43 g/mol
Molecular Formula C22H23NO2
Exact Mass 333.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DThqEGlE51D
Name (4aR,6aS,12aS)-6a-p-Tolyl-1,3,4,4a,5,12a-hexahydro-2H,6aH-benzo[4,5][1,3]oxazino[2,3-a]isoindol-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO2
InChI InChI=1S/C22H23NO2/c1-15-10-12-17(13-11-15)22-19-8-4-3-7-18(19)21(24)23(22)20-9-5-2-6-16(20)14-25-22/h3-4,7-8,10-13,16,20H,2,5-6,9,14H2,1H3/t16-,20-,22-/m0/s1
InChIKey SWAQSNXZQFHMRA-BUKVSMQUSA-N
Instrument Name Jeol JMS-D300
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19960715)10_9_1013
Molecular Weight 333.431 g/mol
SMILES [C@]12(N([C@@]3([C@](CO2)(CCCC3)[H])[H])C(c2c1cccc2)=O)c1ccc(cc1)C
SPLASH splash10-0006-1291000000-7858bd4a9bb72a737b5d
Source of Spectrum RCM-10-1016-6
Wiley ID 1836060