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rac-7'.beta.-ethoxy-3'a,4',7',7'a-tetrahydro-7'a.alpha.-methylspiro[cyclopropane-1,4'(3'a.alpha.)-{1'H,3'H}isobenzofuran]-1',3'-dione

View entire compound with spectra: 1 MS (GC)

rac-7'.beta.-ethoxy-3'a,4',7',7'a-tetrahydro-7'a.alpha.-methylspiro[cyclopropane-1,4'(3'a.alpha.)-{1'H,3'H}isobenzofuran]-1',3'-dione
SpectraBase Compound ID 1C4VQX0Lrsx
InChI InChI=1S/C13H16O4/c1-3-16-8-4-5-13(6-7-13)9-10(14)17-11(15)12(8,9)2/h4-5,8-9H,3,6-7H2,1-2H3/t8-,9?,12-/m0/s1
InChIKey WKENCEDUDLTKMM-OYGLUPDLSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMtnHvfYAZH
Name rac-7'.beta.-ethoxy-3'a,4',7',7'a-tetrahydro-7'a.alpha.-methylspiro[cyclopropane-1,4'(3'a.alpha.)-{1'H,3'H}isobenzofuran]-1',3'-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-16-8-4-5-13(6-7-13)9-10(14)17-11(15)12(8,9)2/h4-5,8-9H,3,6-7H2,1-2H3/t8-,9?,12-/m0/s1
InChIKey WKENCEDUDLTKMM-OYGLUPDLSA-N
Molecular Weight 236.267 g/mol
SMILES [C@@]12(C(OC(C2C2(CC2)C=C[C@@]1(OCC)[H])=O)=O)C
SPLASH splash10-014i-0900000000-f0419b1f1426cbc0ec2c
Source of Spectrum H-72-351-4
Synonyms (7S,7aR)-7-ethoxy-7a-methyl-3,3a,7,7a-tetrahydro-1H-spiro[2-benzofuran-4,1'-cyclopropane]-1,3-dione
Wiley ID 1238065