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2-Adamantylidenemethanesulfonylmethyl-1H-benzotriazole
SpectraBase Compound ID 5vNlIx02c9R
InChI InChI=1S/C18H21N3O2S/c22-24(23,9-13-2-1-3-17-18(13)20-21-19-17)10-16-14-5-11-4-12(7-14)8-15(16)6-11/h1-3,10-12,14-15H,4-9H2,(H,19,20,21)/b16-10-/t11-,12+,14-,15+
InChIKey YYJORGINMPOHEJ-XEKVAXGLSA-N
Mol Weight 343.45 g/mol
Molecular Formula C18H21N3O2S
Exact Mass 343.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Efz2NH2SN5
Name 2-Adamantylidenemethanesulfonylmethyl-1H-benzotriazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O2S
InChI InChI=1S/C18H21N3O2S/c22-24(23,9-13-2-1-3-17-18(13)20-21-19-17)10-16-14-5-11-4-12(7-14)8-15(16)6-11/h1-3,10-12,14-15H,4-9H2,(H,19,20,21)/b16-10-/t11-,12+,14-,15+
InChIKey YYJORGINMPOHEJ-XEKVAXGLSA-N
Molecular Weight 343.445 g/mol
SMILES [nH]1nnc2c1cccc2CS(C=C1[C@]2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])[H])(=O)=O
SPLASH splash10-0ikc-5490000000-d6e03df181d67ed18533
Source of Spectrum H1-37-1927-4
Synonyms 1-Adamantylidenemethanesulfonylmethyl-1H-benzotriazole 1H-1,2,3-benzotriazol-4-ylmethyl tricyclo[3.3.1.1(3,7)]dec-2-ylidenemethyl sulfone 4-{[(tricyclo[3.3.1.1(3,7)]dec-2-ylidenemethyl)sulfonyl]methyl}-1H-1,2,3-benzotriazole
Wiley ID 755882