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1-((2-Adamantanylidenehydrazinyl)thiazol-4-yl)pyrene
SpectraBase Compound ID BcTit9lWaKW
InChI InChI=1S/C29H25N3S/c1-2-18-4-5-20-6-8-23(24-9-7-19(3-1)26(18)27(20)24)25-15-33-29(30-25)32-31-28-21-11-16-10-17(13-21)14-22(28)12-16/h1-9,15-17,21-22H,10-14H2,(H,30,32)/b31-28-/t16-,17+,21-,22+
InChIKey LQFMZHLVYSCPKF-KEWBQESVSA-N
Mol Weight 447.6 g/mol
Molecular Formula C29H25N3S
Exact Mass 447.176919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGU31aAO5VJ
Name 1-((2-Adamantanylidenehydrazinyl)thiazol-4-yl)pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25N3S
InChI InChI=1S/C29H25N3S/c1-2-18-4-5-20-6-8-23(24-9-7-19(3-1)26(18)27(20)24)25-15-33-29(30-25)32-31-28-21-11-16-10-17(13-21)14-22(28)12-16/h1-9,15-17,21-22H,10-14H2,(H,30,32)/b31-28-/t16-,17+,21-,22+
InChIKey LQFMZHLVYSCPKF-KEWBQESVSA-N
Instrument Name Waters AutoSpec Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/jhet.2364
Molecular Weight 447.600 g/mol
Reported Formula C29H25N3S
SMILES N(N=C1[C@]2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])[H])c1scc(n1)-c1c2c3c(cc1)ccc1c3c(cc2)ccc1
SPLASH splash10-0f6t-1076900000-3f087cf1192b45defe61
Source of Spectrum Y-53-447-3j
Wiley ID 1877661