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Ethyl 3-(methylsulfanyl)-4,5-dihydro-2H-benzo[e]isoindole-1-carboxylate
SpectraBase Compound ID 8vwbvBqm0tP
InChI InChI=1S/C16H17NO2S/c1-3-19-16(18)14-13-11-7-5-4-6-10(11)8-9-12(13)15(17-14)20-2/h4-7,17H,3,8-9H2,1-2H3
InChIKey MQJDHPWGGMBGQO-UHFFFAOYSA-N
Mol Weight 287.38 g/mol
Molecular Formula C16H17NO2S
Exact Mass 287.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMZdXUAOD29
Name Ethyl 3-(methylsulfanyl)-4,5-dihydro-2H-benzo[e]isoindole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO2S
InChI InChI=1S/C16H17NO2S/c1-3-19-16(18)14-13-11-7-5-4-6-10(11)8-9-12(13)15(17-14)20-2/h4-7,17H,3,8-9H2,1-2H3
InChIKey MQJDHPWGGMBGQO-UHFFFAOYSA-N
Molecular Weight 287.377 g/mol
SMILES [nH]1c(c-2c(c1SC)CCc1c2cccc1)C(=O)OCC
SPLASH splash10-004s-0970000000-02e620f99abf1a9ba606
Source of Spectrum F-62-1714-13
Wiley ID 1632254