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1,2-Diazatricyclo[5.2.0.02,5]non-8-en-3-one, 4,7-dimethyl-, (4.alpha.,5.alpha.,7.beta.)-
SpectraBase Compound ID LSxElZhKyRb
InChI InChI=1S/C9H12N2O/c1-6-7-5-9(2)3-4-10(9)11(7)8(6)12/h3-4,6-7H,5H2,1-2H3/t6-,7-,9+/m1/s1
InChIKey GXSIWMWKRNETCL-BHNWBGBOSA-N
Mol Weight 164.21 g/mol
Molecular Formula C9H12N2O
Exact Mass 164.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKtGCfozCg4
Name 1,2-Diazatricyclo[5.2.0.02,5]non-8-en-3-one, 4,7-dimethyl-, (4.alpha.,5.alpha.,7.beta.)-
Alternate Name(s) (4R,5R,7R)-4,7-dimethyl-1,2-diazatricyclo[5.2.0.0(2,5)]non-8-en-3-one [4.alpha.,5.alpha.,7.beta.]-4,7-dimethyl-1,2-diazatricyclo[5.2.0.0(2,5)]non-8-ene-3-one
CAS Registry Number 101345-87-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O
InChI InChI=1S/C9H12N2O/c1-6-7-5-9(2)3-4-10(9)11(7)8(6)12/h3-4,6-7H,5H2,1-2H3/t6-,7-,9+/m1/s1
InChIKey GXSIWMWKRNETCL-BHNWBGBOSA-N
Molecular Weight 164.208 g/mol
SMILES C1(N2[C@@]([C@]1(C)[H])(C[C@]1(N2C=C1)C)[H])=O
SPLASH splash10-02t9-0900000000-91be7f4975b549e8bee1
Source of Spectrum H-68-1361-2
Wiley ID 1160138