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1H-Cyclopent[b]anthracene-5,10-dione, 1-acetyl-2,3-dihydro-4,11-dihydroxy-
SpectraBase Compound ID 7RJhUrYwSkS
InChI InChI=1S/C19H14O5/c1-8(20)9-6-7-12-13(9)19(24)15-14(18(12)23)16(21)10-4-2-3-5-11(10)17(15)22/h2-5,9,23-24H,6-7H2,1H3
InChIKey XHCYLQPQVSJLFA-UHFFFAOYSA-N
Mol Weight 322.32 g/mol
Molecular Formula C19H14O5
Exact Mass 322.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGxAq8tkjRW
Name 1H-Cyclopent[b]anthracene-5,10-dione, 1-acetyl-2,3-dihydro-4,11-dihydroxy-
Alternate Name(s) 1-Acetyl-2,3-dihydro-4,11-dihydro-4,11-dihydroxy-1H-cyclopent[b]anthracene-5,10-dione 1-acetyl-4,11-dihydroxy-2,3-dihydro-1H-cyclopenta[b]anthracene-5,10-dione
CAS Registry Number 111670-05-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14O5
InChI InChI=1S/C19H14O5/c1-8(20)9-6-7-12-13(9)19(24)15-14(18(12)23)16(21)10-4-2-3-5-11(10)17(15)22/h2-5,9,23-24H,6-7H2,1H3
InChIKey XHCYLQPQVSJLFA-UHFFFAOYSA-N
Molecular Weight 322.316 g/mol
SMILES Oc1c2c(c(c3c1C(c1c(C3=O)cccc1)=O)O)C(CC2)C(=O)C
SPLASH splash10-004i-0094000000-ccceafe8d4895d58520e
Source of Spectrum I-65-1378-17
Wiley ID 1321766