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(R)-PEUCEDANOL
SpectraBase Compound ID BQKj5UScn1t
InChI InChI=1S/C14H16O5/c1-14(2,18)12(16)6-9-5-8-3-4-13(17)19-11(8)7-10(9)15/h3-5,7,12,15-16,18H,6H2,1-2H3/t12-/m0/s1
InChIKey WRTWKAQFZYXAEJ-LBPRGKRZSA-N
Mol Weight 264.28 g/mol
Molecular Formula C14H16O5
Exact Mass 264.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tAbb1smWuo
Name 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy-, (S)-
CAS Registry Number 20126-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O5
InChI InChI=1S/C14H16O5/c1-14(2,18)12(16)6-9-5-8-3-4-13(17)19-11(8)7-10(9)15/h3-5,7,12,15-16,18H,6H2,1-2H3/t12-/m0/s1
InChIKey WRTWKAQFZYXAEJ-LBPRGKRZSA-N
Molecular Weight 264.277 g/mol
SMILES OC([C@](Cc1cc2c(OC(C=C2)=O)cc1O)(O)[H])(C)C
SPLASH splash10-004i-6920000000-27c501629925740c1925
Source of Spectrum T-68-3160-0
Synonyms 6-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-chromen-2-one 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy- 6-(2,3-dihydroxy-3-methylbutyl)-2-hydroxy-7H-chromen-7-one 7-Demethyl-2',3'-dihydroxydihydrosuberosine 7-Desmethyl-2',3'-dihydroxydihydro suberosine Coumarin, 6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy- Peucedanol
Wiley ID 37924