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PHOMOLACTONE-A
SpectraBase Compound ID 1C0L3yQkIFx
InChI InChI=1S/C12H13ClO4/c1-2-3-6-4-7-10(12(16)17-6)9(14)5-8(13)11(7)15/h5-6,14-15H,2-4H2,1H3/t6-/m1/s1
InChIKey SEIIWAQCIOACJZ-ZCFIWIBFSA-N
Mol Weight 256.68 g/mol
Molecular Formula C12H13ClO4
Exact Mass 256.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7h6XMjizOCD
Name (R)-6-Chloro-5,8-dihydroxy-3-propyl-isochroman-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClO4
InChI InChI=1S/C12H13ClO4/c1-2-3-6-4-7-10(12(16)17-6)9(14)5-8(13)11(7)15/h5-6,14-15H,2-4H2,1H3/t6-/m1/s1
InChIKey SEIIWAQCIOACJZ-ZCFIWIBFSA-N
Molecular Weight 256.685 g/mol
SMILES Oc1c2C[C@](OC(c2c(cc1Cl)O)=O)(CCC)[H]
SPLASH splash10-00di-0950000000-1f00e6f665894f582c61
Source of Spectrum U1-2009-755-4
Synonyms Phomolactone A (3R)-6-chloro-5,8-dihydroxy-3-propyl-3,4-dihydro-1H-2-benzopyran-1-one (3R)-6-chloro-5,8-dihydroxy-3-propyl-3,4-dihydroisochromen-1-one (3R)-6-chloranyl-5,8-bis(oxidanyl)-3-propyl-3,4-dihydroisochromen-1-one
Wiley ID 1662523