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trans-4-Acetyloxy-4,5-dihydro-5-benzo[a]pyrenamine
SpectraBase Compound ID LU29Ba7C5Lu
InChI InChI=1S/C22H17NO2/c1-12(24)25-22-17-8-4-6-13-9-10-16-15-7-3-2-5-14(15)11-18(21(22)23)20(16)19(13)17/h2-11,21-22H,23H2,1H3/t21-,22-/m0/s1
InChIKey ZNYSSHGBQIGBES-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 CaOxyvT05gc
Name trans-4-Acetyloxy-4,5-dihydro-5-benzo[a]pyrenamine
Alternate Name(s) (4S,5S)-5-amino-4,5-dihydrobenzo[def]chrysen-4-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17NO2
InChI InChI=1S/C22H17NO2/c1-12(24)25-22-17-8-4-6-13-9-10-16-15-7-3-2-5-14(15)11-18(21(22)23)20(16)19(13)17/h2-11,21-22H,23H2,1H3/t21-,22-/m0/s1
InChIKey ZNYSSHGBQIGBES-VXKWHMMOSA-N
Molecular Weight 327.383 g/mol
SMILES N[C@]1(c2c3c4c([C@@]1(OC(=O)C)[H])cccc4ccc3c1c(cccc1)c2)[H]
SPLASH splash10-014i-0092000000-84c8f82edbd635b54111
Source of Spectrum F-50-8511-8
Wiley ID 1325757