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1-(Benzylsulfanyl)-3-chloroadamantane
SpectraBase Compound ID 8evMEJc54jQ
InChI InChI=1S/C17H21ClS/c18-16-7-14-6-15(8-16)10-17(9-14,12-16)19-11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2/t14-,15+,16+,17-
InChIKey WHUUIKPSFCIYSK-ZYGGUILKSA-N
Mol Weight 292.87 g/mol
Molecular Formula C17H21ClS
Exact Mass 292.10525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCnAW10EMm1
Name 1-(Benzylsulfanyl)-3-chloroadamantane
Alternate Name(s) 1-(benzylthio)-3-chloro-adamantane 1-Chloranyl-3-(phenylmethylsulfanyl)adamantane 1-Chloro-3-(phenylmethylthio)adamantane Adamantane, 1-benzylthio-3-chloro- 1-Benzylsulfanyl-3-chloroadamantane
CAS Registry Number 274690-01-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21ClS
InChI InChI=1S/C17H21ClS/c18-16-7-14-6-15(8-16)10-17(9-14,12-16)19-11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2/t14-,15+,16+,17-
InChIKey WHUUIKPSFCIYSK-ZYGGUILKSA-N
Molecular Weight 292.868 g/mol
SMILES [C@]12(C[C@]3(Cl)C[C@@](C2)(C[C@@](C1)(C3)[H])[H])SCc1ccccc1
SPLASH splash10-00kf-9610000000-4e632c4f0029c30d62d0
Source of Spectrum AD-0-2532-0
Wiley ID 1419681