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Ethyl (3R,4S,5R)-3,4-O-isopropylidene shikimate

View entire compound with spectra: 2 MS (GC)

Ethyl (3R,4S,5R)-3,4-O-isopropylidene shikimate
SpectraBase Compound ID GBmdos7vGht
InChI InChI=1S/C12H18O5/c1-4-15-11(14)7-5-8(13)10-9(6-7)16-12(2,3)17-10/h6,8-10,13H,4-5H2,1-3H3/t8-,9-,10+/m1/s1
InChIKey YDMLLAZCHMXIOO-BBBLOLIVSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AV83Lf91J0
Name Ethyl (3R,4S,5R)-3,4-O-isopropylidene shikimate
Alternate Name(s) (3aR,7R,7aS)-7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester Ethyl (3aR,7R,7aS)-2,2-dimethyl-7-oxidanyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Ethyl (3aR,7R,7aS)-7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
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Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-4-15-11(14)7-5-8(13)10-9(6-7)16-12(2,3)17-10/h6,8-10,13H,4-5H2,1-3H3/t8-,9-,10+/m1/s1
InChIKey YDMLLAZCHMXIOO-BBBLOLIVSA-N
Molecular Weight 242.271 g/mol
SMILES O[C@]1([C@]2([C@@](C=C(C(=O)OCC)C1)(OC(C)(C)O2)[H])[H])[H]
SPLASH splash10-004r-3980000000-7f7cd77dc6103ea755ef
Source of Spectrum QC-20-126-2
Wiley ID 1688023