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Benzo[e]pyren-10-ol, 9-azido-9,10,11,12-tetrahydro-, trans-(.+-.)-
SpectraBase Compound ID 17kTi3Df5Fg
InChI InChI=1S/C20H15N3O/c21-23-22-20-16(24)10-9-14-13-5-1-3-11-7-8-12-4-2-6-15(19(14)20)18(12)17(11)13/h1-8,16,20,24H,9-10H2/t16-,20+/m0/s1
InChIKey UPNXZWANIIHFOU-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 32ULB6ygsLA
Name Benzo[e]pyren-10-ol, 9-azido-9,10,11,12-tetrahydro-, trans-(.+-.)-
CAS Registry Number 128083-93-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N3O
InChI InChI=1S/C20H15N3O/c21-23-22-20-16(24)10-9-14-13-5-1-3-11-7-8-12-4-2-6-15(19(14)20)18(12)17(11)13/h1-8,16,20,24H,9-10H2/t16-,20+/m0/s1
InChIKey UPNXZWANIIHFOU-OXJNMPFZSA-N
Molecular Weight 313.360 g/mol
SMILES O[C@@]1([C@](c2c(c3cccc4c3c3c2cccc3cc4)CC1)(N=[N+]=[N-])[H])[H]
SPLASH splash10-03k9-0049000000-dba94d11dcfb3d49b4f1
Source of Spectrum J-55-4896-17
Synonyms (+-)-trans-9-azido-10-hydroxy-9,10,11,12-tetrahydro-benzo[e]pyrene (9S,10S)-9-azido-9,10,11,12-tetrahydrobenzo[e]pyren-10-ol
Wiley ID 1314413