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Dimethyl [(5,8-dihydro-4H-5,8-methanocyclohepta[b]thiophen-4-yl)methyl]malonate

View entire compound with spectra: 1 MS (GC)

Dimethyl [(5,8-dihydro-4H-5,8-methanocyclohepta[b]thiophen-4-yl)methyl]malonate
SpectraBase Compound ID ERtQe4nsxR0
InChI InChI=1S/C16H18O4S/c1-19-15(17)13(16(18)20-2)8-12-9-3-4-10(7-9)14-11(12)5-6-21-14/h3-6,9-10,12-13H,7-8H2,1-2H3/t9-,10+,12-/m1/s1
InChIKey HRRCWQSTSOSFBY-RTYFJBAXSA-N
Mol Weight 306.38 g/mol
Molecular Formula C16H18O4S
Exact Mass 306.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVmvnZHtltf
Name Dimethyl [(5,8-dihydro-4H-5,8-methanocyclohepta[b]thiophen-4-yl)methyl]malonate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4S
InChI InChI=1S/C16H18O4S/c1-19-15(17)13(16(18)20-2)8-12-9-3-4-10(7-9)14-11(12)5-6-21-14/h3-6,9-10,12-13H,7-8H2,1-2H3/t9-,10+,12-/m1/s1
InChIKey HRRCWQSTSOSFBY-RTYFJBAXSA-N
Literature Reference DOI 10.1002/adsc.201000783
Molecular Weight 306.376 g/mol
SMILES C1=C[C@]2(C[C@@]1([C@](c1c2scc1)(CC(C(=O)OC)C(OC)=O)[H])[H])[H]
SPLASH splash10-01b9-5900000000-870ecb1a18e314720e0f
Source of Spectrum ASC-353-1125/SM12-3c
Synonyms Dimethyl 2-(((4R,5S,8R)-5,8-dihydro-4H-5,8-methanocyclohepta[b]thiophen-4-yl)methyl)malonate
Wiley ID 1764838