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1,4:5,10-Dimethanobenzo[g]phthalazine, 1,4,4a,5,10,10a-hexahydro-12,12-dimethyl-, (1.alpha.,4.alpha.,4a.alpha.,5.beta.,10.beta.,10a.alpha.)-

View entire compound with spectra: 1 MS (GC)

1,4:5,10-Dimethanobenzo[g]phthalazine, 1,4,4a,5,10,10a-hexahydro-12,12-dimethyl-, (1.alpha.,4.alpha.,4a.alpha.,5.beta.,10.beta.,10a.alpha.)-
SpectraBase Compound ID 2JhJ1kvpxXV
InChI InChI=1S/C16H18N2/c1-16(2)14-8-5-3-4-6-9(8)15(16)13-11-7-10(12(13)14)17-18-11/h3-6,10-15H,7H2,1-2H3/t10-,11+,12+,13-,14-,15+
InChIKey LTPKEHKMTJNUGB-VWLPUNTISA-N
Mol Weight 238.33 g/mol
Molecular Formula C16H18N2
Exact Mass 238.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LhEPp6AQvS
Name 1,4:5,10-Dimethanobenzo[g]phthalazine, 1,4,4a,5,10,10a-hexahydro-12,12-dimethyl-, (1.alpha.,4.alpha.,4a.alpha.,5.beta.,10.beta.,10a.alpha.)-
Alternate Name(s) (1R,2R,3S,6R,7S,8S)-15,15-dimethyl-4,5-diazapentacyclo[6.6.1.1(3,6).0(2,7).0(9,14)]hexadeca-4,9,11,13-tetraene (c-4a,c-10a)o-1,4,4a,5,10,10a-hexahydro-11,11-dimethyl-r-l,c-4:t-5,t-10-dimethanbenzo[g]phthalazine
CAS Registry Number 89703-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2
InChI InChI=1S/C16H18N2/c1-16(2)14-8-5-3-4-6-9(8)15(16)13-11-7-10(12(13)14)17-18-11/h3-6,10-15H,7H2,1-2H3/t10-,11+,12+,13-,14-,15+
InChIKey LTPKEHKMTJNUGB-VWLPUNTISA-N
Molecular Weight 238.334 g/mol
SMILES [C@@]12(C([C@@]([H])(c3c2cccc3)[C@]2([C@@]1([C@@]1(N=N[C@@]2([H])C1)[H])[H])[H])(C)C)[H]
SPLASH splash10-014i-0900000000-a86b1650b046b0a5c32c
Source of Spectrum K-117-527-0
Wiley ID 1241410