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Benzo[a]pyren-9-ol, 10-azido-7,8,9,10-tetrahydro-, trans-(.+-.)-
SpectraBase Compound ID CChyPhk9NeH
InChI InChI=1S/C20H15N3O/c21-23-22-20-16(24)9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(19(14)20)18(13)17(11)12/h1-6,8,10,16,20,24H,7,9H2/t16-,20+/m0/s1
InChIKey UZHMIYGKZFXKFJ-OXJNMPFZSA-N
Mol Weight 313.36 g/mol
Molecular Formula C20H15N3O
Exact Mass 313.121512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94r2mfhcuQm
Name Benzo[a]pyren-9-ol, 10-azido-7,8,9,10-tetrahydro-, trans-(.+-.)-
CAS Registry Number 128083-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N3O
InChI InChI=1S/C20H15N3O/c21-23-22-20-16(24)9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(19(14)20)18(13)17(11)12/h1-6,8,10,16,20,24H,7,9H2/t16-,20+/m0/s1
InChIKey UZHMIYGKZFXKFJ-OXJNMPFZSA-N
Molecular Weight 313.360 g/mol
SMILES O[C@@]1([C@](c2c3c4c(ccc5c4c(cc3)ccc5)cc2CC1)(N=[N+]=[N-])[H])[H]
SPLASH splash10-0229-0094000000-688a7b2b5d19a0ad3c69
Source of Spectrum J-55-4896-20
Synonyms (+-)-trans-10-azido-9-hydroxy-7,8,8,10-tetrahydrobenzo[a]pyrene (9S,10S)-10-azido-7,8,9,10-tetrahydrobenzo[def]chrysen-9-ol
Wiley ID 1314414