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1-ADAMANTYLIDENE-tert-BUTYL-SULPHANYL-METHYL-1H-BENZOTRIAZOLE
SpectraBase Compound ID 47oTo5NlM1d
InChI InChI=1S/C21H27N3S/c1-21(2,3)25-20(24-18-7-5-4-6-17(18)22-23-24)19-15-9-13-8-14(11-15)12-16(19)10-13/h4-7,13-16H,8-12H2,1-3H3/b20-19-/t13-,14+,15-,16+
InChIKey DKEVANVGTQXEAI-MOWBNVTHSA-N
Mol Weight 353.53 g/mol
Molecular Formula C21H27N3S
Exact Mass 353.192569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QNY9UyGI9B
Name 1-Adamantylidene-tert-butylsulfanylmethyl-1H-benzotriazole
Alternate Name(s) 1-[(tert-butylsulfanyl)(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 tert-butyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3S
InChI InChI=1S/C21H27N3S/c1-21(2,3)25-20(24-18-7-5-4-6-17(18)22-23-24)19-15-9-13-8-14(11-15)12-16(19)10-13/h4-7,13-16H,8-12H2,1-3H3/b20-19-/t13-,14+,15-,16+
InChIKey DKEVANVGTQXEAI-MOWBNVTHSA-N
Molecular Weight 353.528 g/mol
SMILES C([n]1nnc2c1cccc2)(=C1[C@]2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])[H])SC(C)(C)C
SPLASH splash10-004i-6940000000-86d955a53766733120fc
Source of Spectrum H1-37-1924-4
Wiley ID 755890