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 Google Search
Mol Weight	313.36 g/mol
Molecular Formula	C20H15N3O
Exact Mass	313.121512 g/mol

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SpectraBase Spectrum ID	94r2mfhcuQm
Name	Benzo[a]pyren-9-ol, 10-azido-7,8,9,10-tetrahydro-, trans-(.+-.)-
Alternate Name(s)	(+-)-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
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
Wiley ID	1314414