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9-(Octadecanethioylsulfanyl)-9-borabicyclo[3.3.1]nonane
SpectraBase Compound ID BDQxsI2Sc2t
InChI InChI=1S/C26H49BS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-26(28)29-27-24-19-17-20-25(27)22-18-21-24/h24-25H,2-23H2,1H3
InChIKey MQTAGGRYCQIIAE-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H49BS2
Exact Mass 436.336874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TZnVZ1QKWB
Name 9-(Octadecanethioylsulfanyl)-9-borabicyclo[3.3.1]nonane
Alternate Name(s) 9-borabicyclo[3.3.1]nonan-9-yl octadecanedithioate 9-Borabicyclo[3.3.1]nonane, 9-[(1-thioxooctadecyl)thio]- Octadecanedithioic acid 9-borabicyclo[3.3.1]nonan-9-yl ester
CAS Registry Number 139759-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H49BS2
InChI InChI=1S/C26H49BS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-26(28)29-27-24-19-17-20-25(27)22-18-21-24/h24-25H,2-23H2,1H3
InChIKey MQTAGGRYCQIIAE-UHFFFAOYSA-N
Molecular Weight 436.608 g/mol
SMILES C1CC2B(SC(CCCCCCCCCCCCCCCCC)=S)C(C1)CCC2
SPLASH splash10-0a5c-9610000000-f81b200b685a009fd04e
Wiley ID 1496348