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(1aRS,3aSR,4RS,7aSR)-4-hydroxy-3a-methoxy-2,2-dimethyl-1a,2,3a,4-tetrahydro-1H,7H-cyclopropa[c]benzofuran-7(4H)-one
SpectraBase Compound ID DKZxxUhU6rc
InChI InChI=1S/C12H16O4/c1-10(2)7-6-11(7)8(13)4-5-9(14)12(11,15-3)16-10/h4-5,7,9,14H,6H2,1-3H3/t7-,9+,11+,12+/m1/s1
InChIKey NLYQFNDWUBXCRD-PVPBFOTQSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DppPtPn8vQJ
Name (1aRS,3aSR,4RS,7aSR)-4-hydroxy-3a-methoxy-2,2-dimethyl-1a,2,3a,4-tetrahydro-1H,7H-cyclopropa[c]benzofuran-7(4H)-one
CAS Registry Number 96613-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-10(2)7-6-11(7)8(13)4-5-9(14)12(11,15-3)16-10/h4-5,7,9,14H,6H2,1-3H3/t7-,9+,11+,12+/m1/s1
InChIKey NLYQFNDWUBXCRD-PVPBFOTQSA-N
Molecular Weight 224.256 g/mol
SMILES O[C@@]1([C@]2([C@@]3([C@](C(C)(C)O2)([H])C3)C(C=C1)=O)OC)[H]
SPLASH splash10-03di-0900000000-e99895331e4e7a7f1c89
Source of Spectrum B-38-1346-14
Synonyms 1H,7H-Cyclopropa[c]benzofuran-7-one, 1a,2,3a,4-tetrahydro-4-hydroxy-3a-methoxy-2,2-dimethyl-, (1a.alpha.,3a.beta.,4.alpha.,7aS*)-(.+-.)- (1aRS,3aSR,4SR,7aSR)-4-hydroxy-3a-methoxy-2,2-dimethyl-1a,2-dihydro-1H,3ah-cyclopropa[c]benzofuran-7(4H)-one (1aS,3aR,4S,7aS)-4-hydroxy-3a-methoxy-2,2-dimethyl-1a,2,3a,4-tetrahydro-1H,7H-cyclopropa[c][1]benzofuran-7-one
Wiley ID 1224966