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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 6fCSoqNYsv7
Name Ethyl (3R,4S,5R)-3,4-O-isopropylidene shikimate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(OC(O[C@@]2(C=C(C1)C(=O)OCC)[H])(C)C)[H])[H]
SPLASH splash10-004v-9850000000-1a31084f2105e8036318
Source of Spectrum OV-3-274-26
Synonyms (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
Wiley ID 1547585