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2-(N-Acetylamino)-6,7-bis(methylthio)-1,3-bis(acetoxy)-tetradecane
SpectraBase Compound ID GQJQ6p6CEgX
InChI InChI=1S/C22H41NO5S2/c1-7-8-9-10-11-12-21(29-5)22(30-6)14-13-20(28-18(4)26)19(23-16(2)24)15-27-17(3)25/h19-22H,7-15H2,1-6H3,(H,23,24)
InChIKey BKCZKYVKKADXTN-UHFFFAOYSA-N
Mol Weight 463.7 g/mol
Molecular Formula C22H41NO5S2
Exact Mass 463.242616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lfPbRxyfg
Name 2-(N-Acetylamino)-6,7-bis(methylthio)-1,3-bis(acetoxy)-tetradecane
Alternate Name(s) 2-(acetylamino)-3-(acetyloxy)-6,7-bis(methylsulfanyl)tetradecyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H41NO5S2
InChI InChI=1S/C22H41NO5S2/c1-7-8-9-10-11-12-21(29-5)22(30-6)14-13-20(28-18(4)26)19(23-16(2)24)15-27-17(3)25/h19-22H,7-15H2,1-6H3,(H,23,24)
InChIKey BKCZKYVKKADXTN-UHFFFAOYSA-N
Molecular Weight 463.692 g/mol
SMILES N(C(COC(=O)C)C(CCC(C(CCCCCCC)SC)SC)OC(=O)C)C(=O)C
SPLASH splash10-0api-9200000000-8529f8d33f298fb3250f
Source of Spectrum G4-63-980-3
Wiley ID 1608511