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1H,7H-Cyclopropa[c]benzofuran-4,7(3aH)-dione, 1a,2-dihydro-3a-methoxy-2,2-dimethyl-6-(2-propenyl)-, (1a.alpha.,3a.beta.,7aS*)-(.+-.)-
SpectraBase Compound ID 7164rEyX6BX
InChI InChI=1S/C15H18O4/c1-5-6-9-7-11(16)15(18-4)14(12(9)17)8-10(14)13(2,3)19-15/h5,7,10H,1,6,8H2,2-4H3/t10-,14+,15+/m1/s1
InChIKey BZEORBRLZGLTKH-ONERCXAPSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhsgTYkQOLm
Name 1H,7H-Cyclopropa[c]benzofuran-4,7(3aH)-dione, 1a,2-dihydro-3a-methoxy-2,2-dimethyl-6-(2-propenyl)-, (1a.alpha.,3a.beta.,7aS*)-(.+-.)-
CAS Registry Number 101664-34-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-5-6-9-7-11(16)15(18-4)14(12(9)17)8-10(14)13(2,3)19-15/h5,7,10H,1,6,8H2,2-4H3/t10-,14+,15+/m1/s1
InChIKey BZEORBRLZGLTKH-ONERCXAPSA-N
Molecular Weight 262.305 g/mol
SMILES [C@@]123[C@@](OC([C@@]3([H])C1)(C)C)(C(=O)C=C(C2=O)CC=C)OC
SPLASH splash10-000i-0900000000-7169e5d50f9d553c83b6
Source of Spectrum B-38-1344-7
Synonyms (1aRS,3aSR,7aSR)-3a-methoxy-2,2-dimethyl-6-(prop-2-enyl)-1a,2,5,8-tetrahydro-1ah,2H-cyclopropa[c]benzofuran-4,7(1H,3aH)-dione (1aS,3aR,7aS)-6-allyl-3a-methoxy-2,2-dimethyl-1a,2-dihydro-1H,3aH-cyclopropa[c][1]benzofuran-4,7-dione
Wiley ID 1265851