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1-Adamant-2-ylidenemethanesulfinylmethyl-1H-benzotriazole
SpectraBase Compound ID 7MTIv3MLRTn
InChI InChI=1S/C18H21N3OS/c1-23(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+,23?
InChIKey BQBWCSYBLRBOAS-OGWMFWOMSA-N
Mol Weight 327.45 g/mol
Molecular Formula C18H21N3OS
Exact Mass 327.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKJHAuy9aql
Name 1-Adamant-2-ylidenemethanesulfinylmethyl-1H-benzotriazole
Alternate Name(s) 1-Adamantylidenemethanesulfinylmethyl-1H-benzotriazole 1-[(methylsulfinyl)(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 sulfoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3OS
InChI InChI=1S/C18H21N3OS/c1-23(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+,23?
InChIKey BQBWCSYBLRBOAS-OGWMFWOMSA-N
Molecular Weight 327.446 g/mol
SMILES C([n]1nnc2c1cccc2)(=C1[C@]2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])[H])S(=O)C
SPLASH splash10-01ox-8960000000-84b2c005966e25dabbb1
Source of Spectrum H1-37-1927-4
Wiley ID 755883