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(6aS)-2-methoxy-3-(3-phenylmethoxypropoxy)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SpectraBase Compound ID G7A3xcfpd01
InChI InChI=1S/C23H26N2O4/c1-27-21-13-19-20(24-15-18-9-5-10-25(18)23(19)26)14-22(21)29-12-6-11-28-16-17-7-3-2-4-8-17/h2-4,7-8,13-15,18H,5-6,9-12,16H2,1H3/t18-/m0/s1
InChIKey QRDCCWZPLHWYRY-SFHVURJKSA-N
Mol Weight 394.47 g/mol
Molecular Formula C23H26N2O4
Exact Mass 394.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKfjLMQeDtu
Name (6aS)-2-methoxy-3-(3-phenylmethoxypropoxy)-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 C23H26N2O4
InChI InChI=1S/C23H26N2O4/c1-27-21-13-19-20(24-15-18-9-5-10-25(18)23(19)26)14-22(21)29-12-6-11-28-16-17-7-3-2-4-8-17/h2-4,7-8,13-15,18H,5-6,9-12,16H2,1H3/t18-/m0/s1
InChIKey QRDCCWZPLHWYRY-SFHVURJKSA-N
Molecular Weight 394.471 g/mol
SMILES C1(c2c(N=C[C@]3(N1CCC3)[H])cc(c(c2)OC)OCCCOCc1ccccc1)=O
SPLASH splash10-052f-5196000000-4b8f197148cfed109f82
Source of Spectrum F2-42-1960-16
Synonyms (6aS)-3-(3-benzoxypropoxy)-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (6aS)-3-(3-benzyloxypropoxy)-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Wiley ID 1600174