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Acetic acid, (4-methoxy-3-oxo-1(3H)-isobenzofuranylidene)-, ethyl ester, (E)-
SpectraBase Compound ID 2C4Ub2N6rXn
InChI InChI=1S/C13H12O5/c1-3-17-11(14)7-10-8-5-4-6-9(16-2)12(8)13(15)18-10/h4-7H,3H2,1-2H3/b10-7+
InChIKey JUXKZARLVGHPRD-JXMROGBWSA-N
Mol Weight 248.23 g/mol
Molecular Formula C13H12O5
Exact Mass 248.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXCf6kq1aTb
Name Acetic acid, (4-methoxy-3-oxo-1(3H)-isobenzofuranylidene)-, ethyl ester, (E)-
Alternate Name(s) (E)-3-Ethoxycarbonylmethylidene-7-methoxyphthalide Ethyl (2E)-(4-methoxy-3-oxo-2-benzofuran-1(3H)-ylidene)ethanoate
CAS Registry Number 83465-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O5
InChI InChI=1S/C13H12O5/c1-3-17-11(14)7-10-8-5-4-6-9(16-2)12(8)13(15)18-10/h4-7H,3H2,1-2H3/b10-7+
InChIKey JUXKZARLVGHPRD-JXMROGBWSA-N
Molecular Weight 248.234 g/mol
SMILES C1(c2c(cccc2OC)\C(O1)=C/C(=O)OCC)=O
SPLASH splash10-004i-0950000000-4410106c7cd1698a5c6f
Source of Spectrum KC-1982-1859-0
Wiley ID 1250862