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3-(3-furanyl)-3a,7-dimethyl-3,4,5,6,7,7a-hexahydroisobenzofuran-1-one
SpectraBase Compound ID Du163Uvpn5W
InChI InChI=1S/C14H18O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-9,11-12H,3-4,6H2,1-2H3
InChIKey VUEORPWXODUKMN-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DFOZ9XaPxZ
Name 3-(3-furanyl)-3a,7-dimethyl-3,4,5,6,7,7a-hexahydroisobenzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-9,11-12H,3-4,6H2,1-2H3
InChIKey VUEORPWXODUKMN-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C12(C(OC(C2C(C)CCC1)=O)c1cocc1)C
SPLASH splash10-06r2-9820000000-ff94b0b6baab8f93a9dc
Source of Spectrum AH-96-1326-2
Synonyms 3-(3-furyl)-3a,7-dimethyl-3,4,5,6,7,7a-hexahydroisobenzofuran-1-one 3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
Wiley ID 1236099