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(6aS)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SpectraBase Compound ID 8DRHnTWiQYa
InChI InChI=1S/C20H20N2O3/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/h2-4,6-7,10-12,15H,5,8-9,13H2,1H3/t15-/m0/s1
InChIKey PXXBSLZVZRNTAD-HNNXBMFYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C20H20N2O3
Exact Mass 336.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kJx2UMTGrW
Name (6aS)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O3
InChI InChI=1S/C20H20N2O3/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/h2-4,6-7,10-12,15H,5,8-9,13H2,1H3/t15-/m0/s1
InChIKey PXXBSLZVZRNTAD-HNNXBMFYSA-N
Molecular Weight 336.391 g/mol
SMILES C1=Nc2c(C(N3[C@]1(CCC3)[H])=O)cc(c(c2)OCc1ccccc1)OC
SPLASH splash10-00ku-3295000000-aba5ad9140109b5d5e1e
Source of Spectrum SO-0-83-9
Synonyms (6aS)-3-benzoxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (6aS)-3-benzyloxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Wiley ID 1541173