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1-O-BENZYL-2,3-O-ISOPROPYLIDENECONDURITOL-B
SpectraBase Compound ID 7uPPCXgsOhG
InChI InChI=1S/C16H20O4/c1-16(2)19-14-12(17)8-9-13(15(14)20-16)18-10-11-6-4-3-5-7-11/h3-9,12-15,17H,10H2,1-2H3/t12-,13-,14+,15+/m0/s1
InChIKey QLRNBRPREURFGF-BYNSBNAKSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77zUc9z8sYJ
Name 1-[O-Benzyl]-2,3-isopropylidene-conduritol B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-16(2)19-14-12(17)8-9-13(15(14)20-16)18-10-11-6-4-3-5-7-11/h3-9,12-15,17H,10H2,1-2H3/t12-,13-,14+,15+/m0/s1
InChIKey QLRNBRPREURFGF-BYNSBNAKSA-N
Molecular Weight 276.332 g/mol
SMILES O[C@@]1([C@@]2([C@](OC(C)(C)O2)([C@](C=C1)(OCc1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0006-9100000000-1afa18927ee0b83cc302
Source of Spectrum H-2005-3126-30
Synonyms (3aR,4S,7S,7aR)-7-benzyloxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol (3aR,4S,7S,7aR)-2,2-dimethyl-7-phenylmethoxy-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
Wiley ID 1563079