Debug Info

object
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_id
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6caYGV1KRoH
spectrumID
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6caYGV1KRoH
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MS (GC)
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Mass Spectrum (GC)
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5-[7-Hydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]valeric acid methyl ester
SpectraBase Compound ID HKEuD5cIWob
InChI InChI=1S/C21H20O6/c1-26-19(24)5-3-2-4-17-20(13-6-8-14(22)9-7-13)21(25)16-11-10-15(23)12-18(16)27-17/h6-12,22-23H,2-5H2,1H3
InChIKey XMWVYRKVABOJCT-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6caYGV1KRoH
Name 5-[7-hydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]valeric acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-26-19(24)5-3-2-4-17-20(13-6-8-14(22)9-7-13)21(25)16-11-10-15(23)12-18(16)27-17/h6-12,22-23H,2-5H2,1H3
InChIKey XMWVYRKVABOJCT-UHFFFAOYSA-N
Molecular Weight 368.385 g/mol
SMILES Oc1ccc2C(C(c3ccc(cc3)O)=C(Oc2c1)CCCCC(=O)OC)=O
SPLASH splash10-00lr-0096000000-380e7fa5f7c31532aa39
Source of Spectrum SO-0-414-2
Synonyms 5-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-2-yl]pentanoic acid methyl ester Methyl 5-[3-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]pentanoate Methyl 5-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-2-yl]pentanoate
Wiley ID 877378
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