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(6aS)-2-methoxy-3-prop-2-enoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
SpectraBase Compound ID FDJvA7JKi6q
InChI InChI=1S/C16H18N2O4/c1-3-7-22-14-9-11-10(8-13(14)21-2)16(20)18-6-4-5-12(18)15(19)17-11/h3,8-9,12H,1,4-7H2,2H3,(H,17,19)/t12-/m0/s1
InChIKey ZFXLTVHKCFMKIU-LBPRGKRZSA-N
Mol Weight 302.33 g/mol
Molecular Formula C16H18N2O4
Exact Mass 302.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZT5kpMIUsB
Name (6aS)-2-methoxy-3-prop-2-enoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Alternate Name(s) (6aS)-3-allyloxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione (6aS)-3-allyloxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4
InChI InChI=1S/C16H18N2O4/c1-3-7-22-14-9-11-10(8-13(14)21-2)16(20)18-6-4-5-12(18)15(19)17-11/h3,8-9,12H,1,4-7H2,2H3,(H,17,19)/t12-/m0/s1
InChIKey ZFXLTVHKCFMKIU-LBPRGKRZSA-N
Molecular Weight 302.330 g/mol
SMILES N1C([C@]2(N(C(c3c1cc(c(c3)OC)OCC=C)=O)CCC2)[H])=O
SPLASH splash10-0fk9-1292000000-e2241b4d0dedd81e4d5f
Source of Spectrum F2-42-4037-16
Wiley ID 1600442