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N-BUTYL-2,3-DIHYDRO-2-(1'-METHYL-2'-PHENYLTHIOETHYL)-BENZOFURAN-6-CARBOXYLATE
SpectraBase Compound ID 2VqES3mKnka
InChI InChI=1S/C22H26O3S/c1-3-4-12-24-22(23)18-11-10-17-13-20(25-21(17)14-18)16(2)15-26-19-8-6-5-7-9-19/h5-11,14,16,20H,3-4,12-13,15H2,1-2H3
InChIKey LQRFYVSWVVNIAX-UHFFFAOYSA-N
Mol Weight 370.51 g/mol
Molecular Formula C22H26O3S
Exact Mass 370.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CZ9aW4OGn0
Name 2-[1-(phenylthio)propan-2-yl]-2,3-dihydrobenzofuran-6-carboxylic acid butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O3S
InChI InChI=1S/C22H26O3S/c1-3-4-12-24-22(23)18-11-10-17-13-20(25-21(17)14-18)16(2)15-26-19-8-6-5-7-9-19/h5-11,14,16,20H,3-4,12-13,15H2,1-2H3
InChIKey LQRFYVSWVVNIAX-UHFFFAOYSA-N
Molecular Weight 370.507 g/mol
SMILES c12OC(Cc2ccc(C(=O)OCCCC)c1)C(CSc1ccccc1)C
SPLASH splash10-00e9-4920000000-1c78e3e3e6dd03bd0fc4
Source of Spectrum KC-0-2081-10
Synonyms 2-[1-methyl-2-(phenylthio)ethyl]coumaran-6-carboxylic acid butyl ester Butyl 2-(1-methyl-2-phenylsulfanyl-ethyl)-2,3-dihydrobenzofuran-6-carboxylate Butyl 2-(1-phenylsulfanylpropan-2-yl)-2,3-dihydro-1-benzofuran-6-carboxylate
Wiley ID 828662