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4-Ethoxycarbonyl-5-methyl-1,3,3a,4,5,7a-hexahydro-2-benzothiophene

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4-Ethoxycarbonyl-5-methyl-1,3,3a,4,5,7a-hexahydro-2-benzothiophene
SpectraBase Compound ID I3CRtPaN0AL
InChI InChI=1S/C12H18O2S/c1-3-14-12(13)11-8(2)4-5-9-6-15-7-10(9)11/h4-5,8-11H,3,6-7H2,1-2H3
InChIKey QHAMMKMFBATEFP-UHFFFAOYSA-N
Mol Weight 226.33 g/mol
Molecular Formula C12H18O2S
Exact Mass 226.102751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ua9yV6yBov
Name 4-Ethoxycarbonyl-5-methyl-1,3,3a,4,5,7a-hexahydro-2-benzothiophene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O2S
InChI InChI=1S/C12H18O2S/c1-3-14-12(13)11-8(2)4-5-9-6-15-7-10(9)11/h4-5,8-11H,3,6-7H2,1-2H3
InChIKey QHAMMKMFBATEFP-UHFFFAOYSA-N
Literature Reference K. Harano, K. Ono, M. Nishimoto, Tetrahedron Lett. 2387 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported