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7-Hydroxy-2,8-Bis(benzoyloxy)dodec-5-enoic-1,9-lactone
SpectraBase Compound ID LFY8aybFO3z
InChI InChI=1S/C26H28O7/c1-2-11-21-23(33-25(29)19-14-7-4-8-15-19)20(27)16-9-10-17-22(26(30)31-21)32-24(28)18-12-5-3-6-13-18/h3-9,12-16,20-23,27H,2,10-11,17H2,1H3/b16-9-
InChIKey PXMIRPXHVSYHEF-SXGWCWSVSA-N
Mol Weight 452.5 g/mol
Molecular Formula C26H28O7
Exact Mass 452.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZqSWkHDdR3
Name 7-Hydroxy-2,8-Bis(benzoyloxy)dodec-5-enoic-1,9-lactone
Alternate Name(s) 2,8-Bis(benzoyloxy)dodec-5-enoic-1,9-lactone 9-(benzoyloxy)-4-hydroxy-10-oxo-2-propyl-3,4,7,8,9,10-hexahydro-2H-oxecin-3-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O7
InChI InChI=1S/C26H28O7/c1-2-11-21-23(33-25(29)19-14-7-4-8-15-19)20(27)16-9-10-17-22(26(30)31-21)32-24(28)18-12-5-3-6-13-18/h3-9,12-16,20-23,27H,2,10-11,17H2,1H3/b16-9-
InChIKey PXMIRPXHVSYHEF-SXGWCWSVSA-N
Molecular Weight 452.503 g/mol
SMILES OC1C(C(OC(C(OC(=O)c2ccccc2)CC\C=C/1)=O)CCC)OC(=O)c1ccccc1
SPLASH splash10-0a6r-8900000000-9bc913fb4353b78d0bc4
Source of Spectrum J-65-3439-12
Wiley ID 1532322