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3a-Hydroxy-3-phenyl-3a,6a-dihydro-1,6-pentalenedione
SpectraBase Compound ID 5hWdDN3Lh8x
InChI InChI=1S/C14H10O3/c15-11-6-7-14(17)10(8-12(16)13(11)14)9-4-2-1-3-5-9/h1-8,13,17H
InChIKey RVHOTBVJHAPVCM-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C14H10O3
Exact Mass 226.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqpJbuRsLTP
Name 3a-Hydroxy-3-phenyl-3a,6a-dihydro-1,6-pentalenedione
Alternate Name(s) 3a-hydroxy-3-phenyl-6aH-pentalene-1,6-dione 3a-hydroxy-3-phenyl-6aH-pentalene-1,6-quinone 3a-oxidanyl-3-phenyl-6aH-pentalene-1,6-dione 5-Hydroxy-4-phenylbicyclo[3.3.0]octa-3,6-diene-2,8-dione
CAS Registry Number 92241-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10O3
InChI InChI=1S/C14H10O3/c15-11-6-7-14(17)10(8-12(16)13(11)14)9-4-2-1-3-5-9/h1-8,13,17H
InChIKey RVHOTBVJHAPVCM-UHFFFAOYSA-N
Molecular Weight 226.231 g/mol
SMILES OC12C=CC(C2C(C=C1c1ccccc1)=O)=O
SPLASH splash10-0006-9500000000-0270e9bc2b3e5d54e965
Source of Spectrum W5-1989-38202-27334
Wiley ID 1227761