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trans-4-Azido-4,5-dihydro-benzo[a]pyren-5-ol
SpectraBase Compound ID 2g5F7i6qszO
InChI InChI=1S/C20H13N3O/c21-23-22-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)24)18(14)17(11)15/h1-10,19-20,24H/t19-,20-/m0/s1
InChIKey SBQIXVRYDZIXRC-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 5YUUqmEQ6Ak
Name trans-4-Azido-4,5-dihydro-benzo[a]pyren-5-ol
Alternate Name(s) (4S,5S)-4-azido-4,5-dihydrobenzo[def]chrysen-5-ol trans-4-Azido-4,5-dihydro-5-benzo[a]pyrenol
CAS Registry Number 71411-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13N3O
InChI InChI=1S/C20H13N3O/c21-23-22-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)24)18(14)17(11)15/h1-10,19-20,24H/t19-,20-/m0/s1
InChIKey SBQIXVRYDZIXRC-PMACEKPBSA-N
Molecular Weight 311.344 g/mol
SMILES O[C@]1(c2c3c4c([C@@]1(N=[N+]=[N-])[H])cccc4ccc3c1c(cccc1)c2)[H]
SPLASH splash10-0wmi-0092000000-4eb6c47f73fb281cf10c
Source of Spectrum F-50-8510-3
Wiley ID 1312628