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1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-hydroxy-6-propyl-, methyl ester

View entire compound with spectra: 1 MS (GC)

1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-hydroxy-6-propyl-, methyl ester
SpectraBase Compound ID 1TdYTDJqTfV
InChI InChI=1S/C13H16O5/c1-3-4-8-7-9(14)11-12(18-6-5-17-11)10(8)13(15)16-2/h7,14H,3-6H2,1-2H3
InChIKey JRFFZEHYDHYGQF-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 J3YQbJV6rLa
Name 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-hydroxy-6-propyl-, methyl ester
Alternate Name(s) Methyl 8-hydroxy-6-propyl-2,3-dihydro-1,4-benzodioxin-5-carboxylate Methyl 8-hydroxy-6-propyl-2,3-dihydro-1,4-benzodioxine-5-carboxylate
CAS Registry Number 103142-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-3-4-8-7-9(14)11-12(18-6-5-17-11)10(8)13(15)16-2/h7,14H,3-6H2,1-2H3
InChIKey JRFFZEHYDHYGQF-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES Oc1cc(c(c2c1OCCO2)C(=O)OC)CCC
SPLASH splash10-0fk9-0190000000-b716b05ef98197d6105f
Source of Spectrum B-39-622-22
Wiley ID 1255349