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tert-Butyl 3-aectoxymethyl-6-[N-(1-oxopropargyl)amino]-8-oxo-1,5-oxathiabicyclo[4.2.0]oct-2-ene-2-carboxyloate
SpectraBase Compound ID 5PoWAvwZpax
InChI InChI=1S/C17H20N2O6S/c1-6-11(21)18-12-14(22)19-13(16(23)25-17(3,4)5)10(7-24-9(2)20)8-26-15(12)19/h1,12,15H,7-8H2,2-5H3,(H,18,21)/t12-,15-/m1/s1
InChIKey HQHIJBKTRHKOLZ-IUODEOHRSA-N
Mol Weight 380.42 g/mol
Molecular Formula C17H20N2O6S
Exact Mass 380.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PwWrjyUdw
Name tert-Butyl 3-aectoxymethyl-6-[N-(1-oxopropargyl)amino]-8-oxo-1,5-oxathiabicyclo[4.2.0]oct-2-ene-2-carboxyloate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O6S
InChI InChI=1S/C17H20N2O6S/c1-6-11(21)18-12-14(22)19-13(16(23)25-17(3,4)5)10(7-24-9(2)20)8-26-15(12)19/h1,12,15H,7-8H2,2-5H3,(H,18,21)/t12-,15-/m1/s1
InChIKey HQHIJBKTRHKOLZ-IUODEOHRSA-N
Molecular Weight 380.415 g/mol
SMILES N([C@]1([C@@]2(N(C1=O)C(C(OC(C)(C)C)=O)=C(COC(=O)C)CS2)[H])[H])C(C#C)=O
SPLASH splash10-0aor-0950000000-3b8c6091a85c3f5d729d
Source of Spectrum F-56-7557-2
Synonyms (6R,7R)-3-Acetoxymethyl-8-oxo-7-propynoylamino-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester
Wiley ID 858685