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3,7-Anhydro-7-c-phenylgulo-heptonic acid delta-lactone
SpectraBase Compound ID D4tpEDPSI2y
InChI InChI=1S/C13H14O5/c14-9-6-8-10(15)13(18-9)11(16)12(17-8)7-4-2-1-3-5-7/h1-5,8,10-13,15-16H,6H2/t8-,10?,11-,12-,13+/m0/s1
InChIKey XIHDWURQMYWEBZ-MWCBVCMISA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9b9MZVb1aD
Name 3,7-Anhydro-7-c-phenylgulo-heptonic acid delta-lactone
Alternate Name(s) Goniopypyrone Gulo-heptonic acid, 3,7-anhydro-7-c-phenyl-, delta-lactone
CAS Registry Number 129578-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c14-9-6-8-10(15)13(18-9)11(16)12(17-8)7-4-2-1-3-5-7/h1-5,8,10-13,15-16H,6H2/t8-,10?,11-,12-,13+/m0/s1
InChIKey XIHDWURQMYWEBZ-MWCBVCMISA-N
Molecular Weight 250.250 g/mol
SMILES OC1[C@@]2([C@]([C@@](O[C@]1(CC(O2)=O)[H])(c1ccccc1)[H])(O)[H])[H]
SPLASH splash10-0a6u-9810000000-20f0dff21dd9b1f49202
Source of Spectrum KC-1990-1660-2
Wiley ID 1253102