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Ethyl 3-(Phenylsulfonyl)cyclohepta-1,3,5-triene-1-carboxylate
SpectraBase Compound ID HSemjUVDTDD
InChI InChI=1S/C16H16O4S/c1-2-20-16(17)13-8-6-7-11-15(12-13)21(18,19)14-9-4-3-5-10-14/h3-7,9-12H,2,8H2,1H3
InChIKey LEQLZHKGUXMKSU-UHFFFAOYSA-N
Mol Weight 304.36 g/mol
Molecular Formula C16H16O4S
Exact Mass 304.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DNYUGiqKes
Name Ethyl 3-(Phenylsulfonyl)cyclohepta-1,3,5-triene-1-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4S
InChI InChI=1S/C16H16O4S/c1-2-20-16(17)13-8-6-7-11-15(12-13)21(18,19)14-9-4-3-5-10-14/h3-7,9-12H,2,8H2,1H3
InChIKey LEQLZHKGUXMKSU-UHFFFAOYSA-N
Molecular Weight 304.360 g/mol
SMILES C=1(S(=O)(=O)c2ccccc2)C=C(C(=O)OCC)CC=CC1
SPLASH splash10-004i-3920000000-b80a42dfd908d12b7a89
Source of Spectrum J-56-3824-15
Synonyms Ethyl 3-(phenylsulfonyl)-1,3,5-cycloheptatriene-1-carboxylate
Wiley ID 1306288