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2-Pentenoic acid, 5-(2,3-dihydro-4-methoxy-3-oxo-1H-inden-5-yl)-, ethyl ester, (E)-
SpectraBase Compound ID JAkBP5YBV0P
InChI InChI=1S/C17H20O4/c1-3-21-15(19)7-5-4-6-13-9-8-12-10-11-14(18)16(12)17(13)20-2/h5,7-9H,3-4,6,10-11H2,1-2H3/b7-5+
InChIKey QATPVSKZBFEZNR-FNORWQNLSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55WjXthIEt2
Name 2-Pentenoic acid, 5-(2,3-dihydro-4-methoxy-3-oxo-1H-inden-5-yl)-, ethyl ester, (E)-
CAS Registry Number 117300-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-3-21-15(19)7-5-4-6-13-9-8-12-10-11-14(18)16(12)17(13)20-2/h5,7-9H,3-4,6,10-11H2,1-2H3/b7-5+
InChIKey QATPVSKZBFEZNR-FNORWQNLSA-N
Molecular Weight 288.343 g/mol
SMILES c12c(c(CC\C=C\C(=O)OCC)ccc2CCC1=O)OC
SPLASH splash10-004i-0900000000-de5d6d9d440156bb03d1
Source of Spectrum KC-1988-1404-11
Synonyms Ethyl (2E)-5-(4-methoxy-3-oxo-2,3-dihydro-1H-inden-5-yl)-2-pentenoate Ethyl 5-(7-methoxy-1-oxoindan-6-yl)pent-2-enoate
Wiley ID 1291831