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5-Phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
SpectraBase Compound ID KCjgzRlNaC5
InChI InChI=1S/C14H12O3/c15-13-11-7-6-10(8-12(11)14(16)17-13)9-4-2-1-3-5-9/h1-6,11-12H,7-8H2
InChIKey JKYWPOLMZPJQML-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45GxuSpbffq
Name 1,3-ISOBENZOFURANDIONE, 3A,4,7,7A-TETRAHYDRO-5-PHENYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H12O3
InChI InChI=1S/C14H12O3/c15-13-11-7-6-10(8-12(11)14(16)17-13)9-4-2-1-3-5-9/h1-6,11-12H,7-8H2
InChIKey JKYWPOLMZPJQML-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 228.0783
SMILES c1cc(C2=CCC3C(=O)OC(=O)C3C2)ccc1
SPLASH splash10-0pdi-5920000000-bc5e3712351a9e4964e2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany