6-Hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate

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Systematic / IUPAC Name: (6-Hydroxy-7-methyl-8-oxo-3-propyl-5,6-dihydro-1H-isochromen-7-yl) 2-hydroxy-4-methoxy-6-methylbenzoate

ID: Reference7673

Other Names: Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-7-methyl-8-oxo-3-propyl-1H-2-benzopyran-7-yl ester

Formula: C22H26O7

Spectral Data

6-Hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/3/2018 7:58:41 AM
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Identificators

InChI InChI=1S/C22H26O7/c1-5-6-14-8-13-9-18(24)22(3,20(25)16(13)11-28-14)29-21(26)19-12(2)7-15(27-4)10-17(19)23/h7-8,10,18,23-24H,5-6,9,11H2,1-4H3
InChI Key MXJRGHQPKCPBAN-UHFFFAOYSA-N
Canonical SMILES CCCC1=CC2=C(CO1)C(=O)C(C(C2)O)(C)OC(=O)C3=C(C=C(C=C3C)OC)O
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Other Names Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-7-methyl-8-oxo-3-propyl-1H-2-benzopyran-7-yl ester

In Other Databases

PubChem 45782885
ChemSpider 29814257