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2-Ethyl-2-(3H-inden-1-ylmethyl)-malonic acid dimethyl ester
SpectraBase Compound ID 5bd1bkwLkjJ
InChI InChI=1S/C16H18O4S/c1-4-16(14(17)19-2,15(18)20-3)9-11-10-21-13-8-6-5-7-12(11)13/h5-8,10H,4,9H2,1-3H3
InChIKey TYCSWBRFXQMPQQ-UHFFFAOYSA-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 JPN42jf5vJk
Name 2-Ethyl-2-(3H-inden-1-ylmethyl)-malonic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4S
InChI InChI=1S/C16H18O4S/c1-4-16(14(17)19-2,15(18)20-3)9-11-10-21-13-8-6-5-7-12(11)13/h5-8,10H,4,9H2,1-3H3
InChIKey TYCSWBRFXQMPQQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 306.376 g/mol
SMILES C(C(C(=O)OC)(Cc1csc2ccccc12)CC)(=O)OC
SPLASH splash10-0002-1900000000-dd5e29edb4aa50945b2c
Source of Spectrum ASC-347-1587/SM14-5j
Synonyms Dimethyl 2-(benzo[b]thiophen-3-ylmethyl)-2-ethylmalonate
Wiley ID 1767782