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

*Links on SpectraBase are not permalinks.
(1S,3aR,4R,5S,7aR)-1-ethyl-3-keto-5-methyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid ethyl ester
SpectraBase Compound ID G0YTNvsJ40p
InChI InChI=1S/C14H20O4/c1-4-10-9-7-6-8(3)11(13(15)17-5-2)12(9)14(16)18-10/h6-12H,4-5H2,1-3H3/t8-,9-,10-,11+,12+/m0/s1
InChIKey BUSDCRSHQKPZMF-KKJSVHSVSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 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 4GN3xO2o9lk
Name (1S,3aR,4R,5S,7aR)-1-ethyl-3-keto-5-methyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-4-10-9-7-6-8(3)11(13(15)17-5-2)12(9)14(16)18-10/h6-12H,4-5H2,1-3H3/t8-,9-,10-,11+,12+/m0/s1
InChIKey BUSDCRSHQKPZMF-KKJSVHSVSA-N
Molecular Weight 252.310 g/mol
SMILES C1([C@@]2([C@](C=C[C@@]([C@]2(C(=O)OCC)[H])(C)[H])([H])[C@@](O1)(CC)[H])[H])=O
SPLASH splash10-01r6-6910000000-0d70d82df6d171ef3d83
Source of Spectrum F-53-1012-21
Synonyms (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid ethyl ester Ethyl (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Ethyl (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Ethyl (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate
Wiley ID 800166