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trans-5-Azido-4,5-dihydro-4-benzo[a]pyrenol
SpectraBase Compound ID 1qnrun9f9Vv
InChI InChI=1S/C20H13N3O/c21-23-22-19-16-10-12-4-1-2-6-13(12)14-9-8-11-5-3-7-15(20(19)24)17(11)18(14)16/h1-10,19-20,24H/t19-,20-/m0/s1
InChIKey UHFVCDNPDWTAQQ-PMACEKPBSA-N
Mol Weight 311.34 g/mol
Molecular Formula C20H13N3O
Exact Mass 311.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KXXBpBCr6e
Name trans-5-Azido-4,5-dihydro-4-benzo[a]pyrenol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13N3O
InChI InChI=1S/C20H13N3O/c21-23-22-19-16-10-12-4-1-2-6-13(12)14-9-8-11-5-3-7-15(20(19)24)17(11)18(14)16/h1-10,19-20,24H/t19-,20-/m0/s1
InChIKey UHFVCDNPDWTAQQ-PMACEKPBSA-N
Molecular Weight 311.344 g/mol
SMILES O[C@]1(c2cccc3c2c2c([C@@]1(N=[N+]=[N-])[H])cc1c(cccc1)c2cc3)[H]
SPLASH splash10-0wmi-0092000000-4aa68b5d1b18f5ba277c
Source of Spectrum F-50-8509-2
Synonyms (4S,5S)-5-azido-4,5-dihydrobenzo[def]chrysen-4-ol
Wiley ID 1312633