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2-Azanylidene-5-oxidanyl-6-undecyl-1,3-benzoxathiole-4,7-dione

View entire compound with spectra: 1 MS (GC)

2-Azanylidene-5-oxidanyl-6-undecyl-1,3-benzoxathiole-4,7-dione
SpectraBase Compound ID 3qBqBRAX5an
InChI InChI=1S/C18H25NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13(20)15(22)17-16(14(12)21)23-18(19)24-17/h19-20H,2-11H2,1H3
InChIKey FTHHQHGFNQTQPQ-UHFFFAOYSA-N
Mol Weight 351.46 g/mol
Molecular Formula C18H25NO4S
Exact Mass 351.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96Q8LiAGbsh
Name 2-Azanylidene-5-oxidanyl-6-undecyl-1,3-benzoxathiole-4,7-dione
Alternate Name(s) 5-Hydroxy-2-imino-6-undecyl-1,3-benzoxathiole-4,7-dione 5-Hydroxy-2-imino-6-undecyl-1,3-benzoxathiole-4,7-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO4S
InChI InChI=1S/C18H25NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13(20)15(22)17-16(14(12)21)23-18(19)24-17/h19-20H,2-11H2,1H3
InChIKey FTHHQHGFNQTQPQ-UHFFFAOYSA-N
Molecular Weight 351.461 g/mol
SMILES OC1=C(C(C2=C(SC(O2)=N)C1=O)=O)CCCCCCCCCCC
SPLASH splash10-03di-0490000000-7af0b73bd39ae92ff4c5
Source of Spectrum Y1-35-1349-4
Wiley ID 1526854