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PHOMOLACTONE-C
SpectraBase Compound ID 3QRoUc2Tty3
InChI InChI=1S/C12H14O4/c1-2-3-8-6-7-4-5-9(13)11(14)10(7)12(15)16-8/h4-5,8,13-14H,2-3,6H2,1H3/t8-/m1/s1
InChIKey QMRKBQDMSRODGM-MRVPVSSYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaQPR52XYj5
Name (R)-7,8-Dihydroxy-3-propyl-isochroman-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-2-3-8-6-7-4-5-9(13)11(14)10(7)12(15)16-8/h4-5,8,13-14H,2-3,6H2,1H3/t8-/m1/s1
InChIKey QMRKBQDMSRODGM-MRVPVSSYSA-N
Molecular Weight 222.240 g/mol
SMILES Oc1c(ccc2C[C@](OC(c12)=O)(CCC)[H])O
SPLASH splash10-00di-0950000000-16f27656269b19390516
Source of Spectrum U1-2009-755-6
Synonyms Phomolactone C (3R)-7,8-dihydroxy-3-propyl-3,4-dihydro-1H-2-benzopyran-1-one (3R)-7,8-dihydroxy-3-propyl-3,4-dihydroisochromen-1-one (3R)-7,8-bis(oxidanyl)-3-propyl-3,4-dihydroisochromen-1-one
Wiley ID 1662521