For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-Isobenzofurancarboxylic acid, 5-(benzoyloxy)-1,3,3a,4,5,7a-hexahydro-6-methyl-3-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

4-Isobenzofurancarboxylic acid, 5-(benzoyloxy)-1,3,3a,4,5,7a-hexahydro-6-methyl-3-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID G46xY3mNFiH
InChI InChI=1S/C17H16O6/c1-9-7-11-8-22-17(21)12(11)13(15(18)19)14(9)23-16(20)10-5-3-2-4-6-10/h2-7,11-14H,8H2,1H3,(H,18,19)/t11-,12+,13+,14-/m0/s1
InChIKey IBXUJCYZWRZYKY-DGAVXFQQSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AOpAXhwWamY
Name 4-Isobenzofurancarboxylic acid, 5-(benzoyloxy)-1,3,3a,4,5,7a-hexahydro-6-methyl-3-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)-
CAS Registry Number 114132-93-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-9-7-11-8-22-17(21)12(11)13(15(18)19)14(9)23-16(20)10-5-3-2-4-6-10/h2-7,11-14H,8H2,1H3,(H,18,19)/t11-,12+,13+,14-/m0/s1
InChIKey IBXUJCYZWRZYKY-DGAVXFQQSA-N
Molecular Weight 316.309 g/mol
SMILES OC([C@]1([C@](C(C)=C[C@@]2([C@]1(C(OC2)=O)[H])[H])(OC(=O)c1ccccc1)[H])[H])=O
SPLASH splash10-0a4i-0900000000-0b9240503bfa1cbc76d1
Source of Spectrum J-53-1868-12
Synonyms (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-5-(benzoyloxy)-6-methyl-1,3,3a,5,7a-hexahydro-3-oxo-4-isobenzofurancarboxylic acid (3aR,4R,5R,7aR)-5-(benzoyloxy)-6-methyl-3-oxo-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carboxylic acid
Wiley ID 1316662