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trans-5-Acetyloxy-4,5-dihydro-4-benzo[a]pyrenamine
SpectraBase Compound ID 7ZZvqXCvB2H
InChI InChI=1S/C22H17NO2/c1-12(24)25-22-18-11-14-5-2-3-7-15(14)16-10-9-13-6-4-8-17(21(22)23)19(13)20(16)18/h2-11,21-22H,23H2,1H3/t21-,22-/m0/s1
InChIKey FUYQLQNEKXKWBG-VXKWHMMOSA-N
Mol Weight 327.38 g/mol
Molecular Formula C22H17NO2
Exact Mass 327.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Qsndnqcndz
Name trans-5-Acetyloxy-4,5-dihydro-4-benzo[a]pyrenamine
Alternate Name(s) (4S,5S)-4-amino-4,5-dihydrobenzo[def]chrysen-5-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17NO2
InChI InChI=1S/C22H17NO2/c1-12(24)25-22-18-11-14-5-2-3-7-15(14)16-10-9-13-6-4-8-17(21(22)23)19(13)20(16)18/h2-11,21-22H,23H2,1H3/t21-,22-/m0/s1
InChIKey FUYQLQNEKXKWBG-VXKWHMMOSA-N
Molecular Weight 327.383 g/mol
SMILES N[C@]1(c2cccc3c2c2c([C@@]1(OC(=O)C)[H])cc1c(cccc1)c2cc3)[H]
SPLASH splash10-014i-0092000000-d814dd2b03cc59a9d877
Source of Spectrum F-50-8511-9
Wiley ID 1325756