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3-(8-Methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid

View entire compound with spectra: 1 MS (GC)

3-(8-Methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
SpectraBase Compound ID BPHliGv89VT
InChI InChI=1S/C13H16O5/c1-16-10-8-12-11(17-5-2-6-18-12)7-9(10)3-4-13(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChIKey GJDCPYCUMMYZAZ-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B32X6J6FpB2
Name 3-(8-Methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-16-10-8-12-11(17-5-2-6-18-12)7-9(10)3-4-13(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChIKey GJDCPYCUMMYZAZ-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES OC(CCc1c(cc2c(c1)OCCCO2)OC)=O
SPLASH splash10-0f6x-9620000000-7887e37875235a1bf49f
Source of Spectrum IY-2-5098-4
Synonyms 3-(7-Methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid
Wiley ID 1658967