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(11aS)-8-Hydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
SpectraBase Compound ID 9dyDJkNCz3g
InChI InChI=1S/C13H14N2O3/c1-18-12-5-9-10(6-11(12)16)14-7-8-3-2-4-15(8)13(9)17/h5-8,16H,2-4H2,1H3/t8-/m0/s1
InChIKey LQDGLTOVYOUCRG-QMMMGPOBSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6y9yNuJBfTT
Name (11aS)-8-Hydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Alternate Name(s) (6aS)-2-methoxy-3-oxidanyl-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 C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-18-12-5-9-10(6-11(12)16)14-7-8-3-2-4-15(8)13(9)17/h5-8,16H,2-4H2,1H3/t8-/m0/s1
InChIKey LQDGLTOVYOUCRG-QMMMGPOBSA-N
Molecular Weight 246.266 g/mol
SMILES Oc1c(cc2C(N3[C@](C=Nc2c1)(CCC3)[H])=O)OC
SPLASH splash10-006t-2190000000-8eb61264981257615573
Source of Spectrum F-48-757-1
Wiley ID 1248852