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trans-12-Amino-1,2,11,12-tetrahydro-3-methyl-11-benz[j]aceanthrylenol
SpectraBase Compound ID 9RS3yBpkL0X
InChI InChI=1S/C21H19NO/c1-11-6-7-12-10-17-14-4-2-3-5-15(14)21(23)20(22)19(17)16-9-8-13(11)18(12)16/h2-7,10,20-21,23H,8-9,22H2,1H3/t20-,21-/m0/s1
InChIKey HMACXBDQSWUBAN-SFTDATJTSA-N
Mol Weight 301.39 g/mol
Molecular Formula C21H19NO
Exact Mass 301.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SBwTVZdY2K
Name trans-12-Amino-1,2,11,12-tetrahydro-3-methyl-11-benz[j]aceanthrylenol
Alternate Name(s) (1S,12S)-12-amino-3-methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylen-1-ol (S)-12-(S)-Amino-3-methyl-1,2,11,12-tetrahydro-benzo[j]aceanthrylen-11-ol trans-12-amino-1,2,11,12-tetrahydro-3-methyl-11-benz[j]acenthrylenol
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Formula C21H19NO
InChI InChI=1S/C21H19NO/c1-11-6-7-12-10-17-14-4-2-3-5-15(14)21(23)20(22)19(17)16-9-8-13(11)18(12)16/h2-7,10,20-21,23H,8-9,22H2,1H3/t20-,21-/m0/s1
InChIKey HMACXBDQSWUBAN-SFTDATJTSA-N
Molecular Weight 301.389 g/mol
SMILES N[C@@]1([C@](c2ccccc2-c2c1c1c3c(c(ccc3c2)C)CC1)(O)[H])[H]
SPLASH splash10-001i-0090000000-5e87619ab8c9e077d500
Source of Spectrum F-50-8512-13
Wiley ID 1304099