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5-(1-Acetamidoethyl)-2-tosyloxytropone
SpectraBase Compound ID 4YDVNOorBsX
InChI InChI=1S/C18H19NO5S/c1-12-4-8-16(9-5-12)25(22,23)24-18-11-7-15(6-10-17(18)21)13(2)19-14(3)20/h4-11,13H,1-3H3,(H,19,20)
InChIKey GIBSLBSBTJGXJY-UHFFFAOYSA-N
Mol Weight 361.41 g/mol
Molecular Formula C18H19NO5S
Exact Mass 361.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jv3xl3S7Grs
Name 5-(1-Acetamidoethyl)-2-tosyloxytropone
Alternate Name(s) 4-[1-(acetylamino)ethyl]-7-oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO5S
InChI InChI=1S/C18H19NO5S/c1-12-4-8-16(9-5-12)25(22,23)24-18-11-7-15(6-10-17(18)21)13(2)19-14(3)20/h4-11,13H,1-3H3,(H,19,20)
InChIKey GIBSLBSBTJGXJY-UHFFFAOYSA-N
Molecular Weight 361.412 g/mol
SMILES N(C(C1=CC=C(OS(c2ccc(cc2)C)(=O)=O)C(C=C1)=O)C)C(=O)C
SPLASH splash10-000b-0191000000-b09a9ee8b5a352cee6b3
Source of Spectrum AJ-61-2535-4
Wiley ID 1348907