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Benzo[e]pyren-10-ol, 9-amino-9,10,11,12-tetrahydro-, trans-(.+-.)-
SpectraBase Compound ID 2uZ4uOjUCef
InChI InChI=1S/C20H17NO/c21-20-16(22)10-9-14-13-5-1-3-11-7-8-12-4-2-6-15(19(14)20)18(12)17(11)13/h1-8,16,20,22H,9-10,21H2/t16-,20+/m0/s1
InChIKey LIMIXYHEKADQMB-OXJNMPFZSA-N
Mol Weight 287.36 g/mol
Molecular Formula C20H17NO
Exact Mass 287.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1alOwNYet4
Name Benzo[e]pyren-10-ol, 9-amino-9,10,11,12-tetrahydro-, trans-(.+-.)-
CAS Registry Number 128083-94-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO
InChI InChI=1S/C20H17NO/c21-20-16(22)10-9-14-13-5-1-3-11-7-8-12-4-2-6-15(19(14)20)18(12)17(11)13/h1-8,16,20,22H,9-10,21H2/t16-,20+/m0/s1
InChIKey LIMIXYHEKADQMB-OXJNMPFZSA-N
Molecular Weight 287.362 g/mol
SMILES N[C@@]1([C@](CCc2c1c1c3c4c(cccc24)ccc3ccc1)(O)[H])[H]
SPLASH splash10-00fr-0090000000-7760efabb52b6396724b
Source of Spectrum J-55-4896-18
Synonyms (+-)-trans-9-amino-10-hydroxy-9,10,11,12-tetrahydro-benzo[3]pyrene (+-)-trans-9-amino-10-hydroxy-9,10,11,12-tetrahydro-benzo[e]pyrene (9S,10S)-9-amino-9,10,11,12-tetrahydrobenzo[e]pyren-10-ol
Wiley ID 1291063