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Des-A-17-aza-estra-5(10),6,8-trien-11,16-dione
SpectraBase Compound ID DCh6Uirqpij
InChI InChI=1S/C13H13NO2/c1-13-7-11(15)9-5-3-2-4-8(9)10(13)6-12(16)14-13/h2-5,10H,6-7H2,1H3,(H,14,16)
InChIKey XRRGVVJAWOLFMJ-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKKLDCtxFEm
Name Des-A-17-aza-estra-5(10),6,8-trien-11,16-dione
Alternate Name(s) 3a-methyl-1,3a,4,9b-tetrahydro-2H-benzo[e]indole-2,5(3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-13-7-11(15)9-5-3-2-4-8(9)10(13)6-12(16)14-13/h2-5,10H,6-7H2,1H3,(H,14,16)
InChIKey XRRGVVJAWOLFMJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19843170710
Molecular Weight 215.252 g/mol
SMILES N1C(CC2c3ccccc3C(CC12C)=O)=O
SPLASH splash10-0zfr-1950000000-e894c94823611ba507c4
Source of Spectrum APC-317-631-3b
Wiley ID 1788181