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(11aS)-8-Benzyloxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
SpectraBase Compound ID 86wXyCsM4TY
InChI InChI=1S/C20H22N2O3/c1-24-18-10-16-17(21-12-15-8-5-9-22(15)20(16)23)11-19(18)25-13-14-6-3-2-4-7-14/h2-4,6-7,10-11,15,21H,5,8-9,12-13H2,1H3/t15-/m0/s1
InChIKey KXZZQBDAAAFIKZ-HNNXBMFYSA-N
Mol Weight 338.41 g/mol
Molecular Formula C20H22N2O3
Exact Mass 338.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7My4L8Iyd59
Name (11aS)-8-Benzyloxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O3
InChI InChI=1S/C20H22N2O3/c1-24-18-10-16-17(21-12-15-8-5-9-22(15)20(16)23)11-19(18)25-13-14-6-3-2-4-7-14/h2-4,6-7,10-11,15,21H,5,8-9,12-13H2,1H3/t15-/m0/s1
InChIKey KXZZQBDAAAFIKZ-HNNXBMFYSA-N
Molecular Weight 338.407 g/mol
SMILES N1c2c(C(N3[C@](C1)(CCC3)[H])=O)cc(c(c2)OCc1ccccc1)OC
SPLASH splash10-000f-9014000000-a064a91c3bedc9650a8e
Source of Spectrum F-70-2263-13
Wiley ID 1596496