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

*Links on SpectraBase are not permalinks.

5-Benzofuranacetic acid, 6-ethenyl-2,4,5,6,7,7a-hexahydro-3,6-dimethyl-.alpha.-methylene-2-oxo-, methyl ester, (5.alpha.,6.beta.,7a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

5-Benzofuranacetic acid, 6-ethenyl-2,4,5,6,7,7a-hexahydro-3,6-dimethyl-.alpha.-methylene-2-oxo-, methyl ester, (5.alpha.,6.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 81eCHXxs2EI
InChI InChI=1S/C16H20O4/c1-6-16(4)8-13-11(9(2)15(18)20-13)7-12(16)10(3)14(17)19-5/h6,12-13H,1,3,7-8H2,2,4-5H3/t12-,13-,16-/m1/s1
InChIKey ODNZGWQSPYLHGS-XJKCOSOUSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 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 7MJQv03ePNX
Name 5-Benzofuranacetic acid, 6-ethenyl-2,4,5,6,7,7a-hexahydro-3,6-dimethyl-.alpha.-methylene-2-oxo-, methyl ester, (5.alpha.,6.beta.,7a.alpha.)-(.+-.)-
Alternate Name(s) 3,6-Dimethyl-4-oxo-5-(1-methoxycarbonylethenyl)-6-ethenyl-4,7-dihydro-benzofuran Methyl 2-[(5S,6S,7aR)-3,6-dimethyl-2-oxo-6-vinyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-5-yl]acrylate
CAS Registry Number 121468-60-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-6-16(4)8-13-11(9(2)15(18)20-13)7-12(16)10(3)14(17)19-5/h6,12-13H,1,3,7-8H2,2,4-5H3/t12-,13-,16-/m1/s1
InChIKey ODNZGWQSPYLHGS-XJKCOSOUSA-N
Molecular Weight 276.332 g/mol
SMILES C12=C(C(=O)O[C@@]2(C[C@]([C@](C1)(C(C(=O)OC)=C)[H])(C=C)C)[H])C
SPLASH splash10-002g-3920000000-3cd378cb36a86918c296
Source of Spectrum F-44-1388-34
Wiley ID 1280157