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trans-4-Azido-4,5-dihydro-5-benzo[a]pyrenol acetate
SpectraBase Compound ID HhyBLAzWjdt
InChI InChI=1S/C22H15N3O2/c1-12(26)27-22-18-11-14-5-2-3-7-15(14)16-10-9-13-6-4-8-17(19(13)20(16)18)21(22)24-25-23/h2-11,21-22H,1H3/t21-,22-/m0/s1
InChIKey IDJBTZXITUJHRC-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 IJebJ9N6yZt
Name trans-4-Azido-4,5-dihydro-5-benzo[a]pyrenol acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15N3O2
InChI InChI=1S/C22H15N3O2/c1-12(26)27-22-18-11-14-5-2-3-7-15(14)16-10-9-13-6-4-8-17(19(13)20(16)18)21(22)24-25-23/h2-11,21-22H,1H3/t21-,22-/m0/s1
InChIKey IDJBTZXITUJHRC-VXKWHMMOSA-N
Molecular Weight 353.381 g/mol
SMILES c12c3c4c(cccc4[C@@]([C@]2(OC(=O)C)[H])(N=[N+]=[N-])[H])ccc3c2c(c1)cccc2
SPLASH splash10-0gb9-0091000000-043ed67d2106bdfd5472
Source of Spectrum F-50-8511-7
Synonyms (4S,5S)-4-azido-4,5-dihydrobenzo[def]chrysen-5-yl acetate
Wiley ID 1344072