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3-Methyl-4-oxidanyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SpectraBase Compound ID DhRdihQdqfz
InChI InChI=1S/C13H14N2O2/c1-8-4-5-10-11(12(8)16)14-7-9-3-2-6-15(9)13(10)17/h4-5,7,9,16H,2-3,6H2,1H3
InChIKey WCMRUINWJFSDSC-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DEIIFAm3ca
Name 3-Methyl-4-oxidanyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CAS Registry Number 100296-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-8-4-5-10-11(12(8)16)14-7-9-3-2-6-15(9)13(10)17/h4-5,7,9,16H,2-3,6H2,1H3
InChIKey WCMRUINWJFSDSC-UHFFFAOYSA-N
Molecular Weight 230.267 g/mol
SMILES Oc1c2c(C(N3C(C=N2)CCC3)=O)ccc1C
SPLASH splash10-001i-0690000000-2a8a734d29079fbd4b5d
Source of Spectrum J-51-711-23
Synonyms 4-Hydroxy-3-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Wiley ID 1231812