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

*Links on SpectraBase are not permalinks.
3,5a-Dimethyl-5-(formylmethyl)-6-[1'-methoxycarbonyl)ethenyl]-perhydrobenzofuran-2-one
SpectraBase Compound ID DpAd59Bnmev
InChI InChI=1S/C16H22O5/c1-9-11-5-6-16(3,7-8-17)12(10(2)14(18)20-4)13(11)21-15(9)19/h8-9,11,13H,5-7H2,1-4H3/b12-10-/t9-,11-,13-,16-/m0/s1
InChIKey ZCUBRJIJCBWZST-VTAUPFHTSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 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 5FjMDhauWPx
Name 3,5a-Dimethyl-5-(formylmethyl)-6-[1'-methoxycarbonyl)ethenyl]-perhydrobenzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-9-11-5-6-16(3,7-8-17)12(10(2)14(18)20-4)13(11)21-15(9)19/h8-9,11,13H,5-7H2,1-4H3/b12-10-/t9-,11-,13-,16-/m0/s1
InChIKey ZCUBRJIJCBWZST-VTAUPFHTSA-N
Molecular Weight 294.347 g/mol
SMILES [C@@]12(\C(=C\(C(=O)OC)C)[C@@](CC[C@]2([C@](C)(C(O1)=O)[H])[H])(CC=O)C)[H]
SPLASH splash10-03g0-0090000000-a9e682dc26eb43f4d01b
Source of Spectrum K1-2000-2148-9
Synonyms 2-[(3S,3aS,6S,7aS)-3,6-Dimethyl-2-oxo-6-(2-oxo-ethyl)-hexahydro-benzofuran-(7E)-ylidene]-propionic acid methyl ester (2E)-2-[(3S,3aS,6S,7aS)-3,6-dimethyl-2-oxo-6-(2-oxoethyl)-3a,4,5,7a-tetrahydro-3H-benzofuran-7-ylidene]propanoic acid methyl ester Methyl (2E)-2-[(3S,3aS,6S,7aS)-3,6-dimethyl-2-oxo-6-(2-oxoethyl)-3a,4,5,7a-tetrahydro-3H-1-benzofuran-7-ylidene]propanoate Methyl (2E)-2-[(3S,3aS,6S,7aS)-3,6-dimethyl-2-oxo-6-(2-oxoethyl)-3a,4,5,7a-tetrahydro-3H-benzofuran-7-ylidene]propanoate Methyl (2E)-2-[(3S,3aS,6S,7aS)-3,6-dimethyl-2-oxidanylidene-6-(2-oxidanylideneethyl)-3a,4,5,7a-tetrahydro-3H-1-benzofuran-7-ylidene]propanoate
Wiley ID 750372