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Ethyl (1RS,3RS)-(+-)-3-[2-(Ethoxycarbonyl)ethyl]-3,4-dihydro-1H-2-benzopyran-1-carboxylate
SpectraBase Compound ID 491ABinSqDT
InChI InChI=1S/C17H22O5/c1-3-20-15(18)10-9-13-11-12-7-5-6-8-14(12)16(22-13)17(19)21-4-2/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKey BYYDGSAKSMPWQW-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqC2WGcnAyx
Name Ethyl (1RS,3RS)-(+-)-3-[2-(Ethoxycarbonyl)ethyl]-3,4-dihydro-1H-2-benzopyran-1-carboxylate
Alternate Name(s) 3-(3-Ethoxy-3-oxopropyl)-3,4-dihydro-1H-2-benzopyran-1-carboxylic acid ethyl ester Ethyl 3-(3-ethoxy-3-oxopropyl)-3,4-dihydro-1H-isochromene-1-carboxylate Ethyl 3-(3-ethoxy-3-oxo-propyl)isochromane-1-carboxylate Ethyl 3-(3-ethoxy-3-oxidanylidene-propyl)-3,4-dihydro-1H-isochromene-1-carboxylate
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Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-3-20-15(18)10-9-13-11-12-7-5-6-8-14(12)16(22-13)17(19)21-4-2/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKey BYYDGSAKSMPWQW-UHFFFAOYSA-N
Molecular Weight 306.358 g/mol
SMILES C1(Cc2c(C(O1)C(=O)OCC)cccc2)CCC(=O)OCC
SPLASH splash10-00lr-0190000000-8aaa747801978b6502e0
Source of Spectrum U1-2012-2438-19
Wiley ID 1715277