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3-(2-Oxo-3-p-toluenesulfonyl-1-oxa-3-azaspiro[4.4]non-4-ylidene)cyclobutanecarboxylic ethyl ester
SpectraBase Compound ID H58PNPwGphd
InChI InChI=1S/C21H25NO6S/c1-3-27-19(23)16-12-15(13-16)18-21(10-4-5-11-21)28-20(24)22(18)29(25,26)17-8-6-14(2)7-9-17/h6-9,16H,3-5,10-13H2,1-2H3/b18-15-
InChIKey QORNDBXRFNJALC-SDXDJHTJSA-N
Mol Weight 419.49 g/mol
Molecular Formula C21H25NO6S
Exact Mass 419.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhgML5tCHV7
Name 3-(2-Oxo-3-p-toluenesulfonyl-1-oxa-3-azaspiro[4.4]non-4-ylidene)cyclobutanecarboxylic ethyl ester
Alternate Name(s) Ethyl 3-{3-[(4-methylphenyl)sulfonyl]-2-oxo-1-oxa-3-azaspiro[4.4]non-4-ylidene}cyclobutanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6S
InChI InChI=1S/C21H25NO6S/c1-3-27-19(23)16-12-15(13-16)18-21(10-4-5-11-21)28-20(24)22(18)29(25,26)17-8-6-14(2)7-9-17/h6-9,16H,3-5,10-13H2,1-2H3/b18-15-
InChIKey QORNDBXRFNJALC-SDXDJHTJSA-N
Molecular Weight 419.492 g/mol
SMILES c1(S(N2C(OC3(C2=C2CC(C2)C(=O)OCC)CCCC3)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-03di-0090000000-019086e8496dd94e8913
Source of Spectrum QF-9-2434-8
Wiley ID 1558472