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1-ADAMANTYLIDENE-METHANE-SULPHINYL-METHYL-1H-BENZOTRIAZOLE
SpectraBase Compound ID 2D1erMEjwSw
InChI InChI=1S/C18H21N3S/c1-22-18(21-16-5-3-2-4-15(16)19-20-21)17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14H,6-10H2,1H3/b18-17-/t11-,12+,13-,14+
InChIKey PCMQEDPGNXBCKR-SKOUBFMCSA-N
Mol Weight 311.45 g/mol
Molecular Formula C18H21N3S
Exact Mass 311.145619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDgvhhCIlNV
Name 1-Adamantylidenemethylsulfanylmethyl-1H-benzotriazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3S
InChI InChI=1S/C18H21N3S/c1-22-18(21-16-5-3-2-4-15(16)19-20-21)17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14H,6-10H2,1H3/b18-17-/t11-,12+,13-,14+
InChIKey PCMQEDPGNXBCKR-SKOUBFMCSA-N
Molecular Weight 311.447 g/mol
SMILES C([n]1nnc2c1cccc2)(=C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])SC
SPLASH splash10-014l-5390000000-93c8c4c77f814692ff5c
Source of Spectrum H1-37-1925-4
Synonyms 1-[(methylsulfanyl)(tricyclo[3.3.1.1(3,7)]dec-2-ylidene)methyl]-1H-1,2,3-benzotriazole 1H-1,2,3-benzotriazol-1-yl(tricyclo[3.3.1.1(3,7)]dec-2-ylidene)methyl methyl sulfide
Wiley ID 755888