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(2SR,7a' RS)-2,3-Dihydro-5-hydroxy-2-(2',4',5',6',7',7a-hexahydro-2''-oxobenzofuran-7a'-yl)-1,4-naphthoquinone
SpectraBase Compound ID DIdcpUCtemy
InChI InChI=1S/C18H16O5/c19-13-6-3-5-11-16(13)14(20)9-12(17(11)22)18-7-2-1-4-10(18)8-15(21)23-18/h3,5-6,8,12,19H,1-2,4,7,9H2
InChIKey RDTPHSSMJOLJQE-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IoMeQqGbxX
Name (2SR,7a' RS)-2,3-Dihydro-5-hydroxy-2-(2',4',5',6',7',7a-hexahydro-2''-oxobenzofuran-7a'-yl)-1,4-naphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O5
InChI InChI=1S/C18H16O5/c19-13-6-3-5-11-16(13)14(20)9-12(17(11)22)18-7-2-1-4-10(18)8-15(21)23-18/h3,5-6,8,12,19H,1-2,4,7,9H2
InChIKey RDTPHSSMJOLJQE-UHFFFAOYSA-N
Molecular Weight 312.321 g/mol
SMILES Oc1c2c(C(C(C34C(=CC(O4)=O)CCCC3)CC2=O)=O)ccc1
SPLASH splash10-004r-2901000000-90c576be8cf9c96900fc
Source of Spectrum U-1994-475-8
Synonyms (2RS,7a' SR)-2,3-Dihydro-5-hydroxy-2-(2',4',5',6',7',7a-hexahydro-2''-oxobenzofuran-7a'-yl)-1,4-naphthoquinone
Wiley ID 765808