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trans-5-Azido-4,5-dihydro-4-benzo[a]pyrenol acetate
SpectraBase Compound ID KHJGJ0RXn4P
InChI InChI=1S/C22H15N3O2/c1-12(26)27-22-17-8-4-6-13-9-10-16-15-7-3-2-5-14(15)11-18(20(16)19(13)17)21(22)24-25-23/h2-11,21-22H,1H3/t21-,22-/m0/s1
InChIKey RISXTWNPWNNQTJ-VXKWHMMOSA-N
Mol Weight 353.38 g/mol
Molecular Formula C22H15N3O2
Exact Mass 353.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyfN0zx5lws
Name trans-5-Azido-4,5-dihydro-4-benzo[a]pyrenol acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15N3O2
InChI InChI=1S/C22H15N3O2/c1-12(26)27-22-17-8-4-6-13-9-10-16-15-7-3-2-5-14(15)11-18(20(16)19(13)17)21(22)24-25-23/h2-11,21-22H,1H3/t21-,22-/m0/s1
InChIKey RISXTWNPWNNQTJ-VXKWHMMOSA-N
Molecular Weight 353.381 g/mol
SMILES c12c3c4c(cccc4[C@@]([C@]2(N=[N+]=[N-])[H])(OC(=O)C)[H])ccc3c2c(c1)cccc2
SPLASH splash10-0gb9-0090000000-1bbd52452171cad5e94a
Source of Spectrum F-50-8510-6
Synonyms (4S,5S)-5-azido-4,5-dihydrobenzo[def]chrysen-4-yl acetate
Wiley ID 1344073