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Spiro[bicyclo[3.1.1]heptane-2,2'(5'H)-furan]-5'-one, dihydro-3-hydroxy-3',6,6-trimethyl-, [1.alpha.,2.alpha.(R*),3.alpha.,5.alpha.]-

View entire compound with spectra: 1 MS (GC)

Spiro[bicyclo[3.1.1]heptane-2,2'(5'H)-furan]-5'-one, dihydro-3-hydroxy-3',6,6-trimethyl-, [1.alpha.,2.alpha.(R*),3.alpha.,5.alpha.]-
SpectraBase Compound ID 6NiEGMf8G9e
InChI InChI=1S/C13H20O3/c1-7-4-11(15)16-13(7)9-5-8(6-10(13)14)12(9,2)3/h7-10,14H,4-6H2,1-3H3/t7?,8-,9-,10-,13+/m0/s1
InChIKey LMUGJXPNMRNJAZ-ZZZRRXQHSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YhLcxDr02A
Name Spiro[bicyclo[3.1.1]heptane-2,2'(5'H)-furan]-5'-one, dihydro-3-hydroxy-3',6,6-trimethyl-, [1.alpha.,2.alpha.(R*),3.alpha.,5.alpha.]-
CAS Registry Number 67428-21-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-7-4-11(15)16-13(7)9-5-8(6-10(13)14)12(9,2)3/h7-10,14H,4-6H2,1-3H3/t7?,8-,9-,10-,13+/m0/s1
InChIKey LMUGJXPNMRNJAZ-ZZZRRXQHSA-N
Molecular Weight 224.300 g/mol
SMILES O[C@@]1([C@@]2([C@@]3(C(C)(C)[C@@](C1)([H])C3)[H])OC(=O)CC2C)[H]
SPLASH splash10-0f89-7900000000-8307110c171e57d945a6
Source of Spectrum C-100-3425-0
Synonyms (1R,2R,3R,5R)-3-hydroxy-3',6,6-trimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxolane]-5'-one 6,6-Dimethyl-2-(1'-methyl-2'-carboxyethyl)bicyclo(3.1.1)heptan-3-ol lactone
Wiley ID 1225259