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2,7,8-Tris(benzoyloxy)dodec-5-enoic-1,9-lactone
SpectraBase Compound ID KirfsMlcKOZ
InChI InChI=1S/C33H32O8/c1-2-14-26-29(41-32(36)25-19-10-5-11-20-25)27(38-30(34)23-15-6-3-7-16-23)21-12-13-22-28(33(37)39-26)40-31(35)24-17-8-4-9-18-24/h3-12,15-21,26-29H,2,13-14,22H2,1H3/b21-12-
InChIKey MIGJAKUHJFNDOS-MTJSOVHGSA-N
Mol Weight 556.6 g/mol
Molecular Formula C33H32O8
Exact Mass 556.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QPCpZl9oVZ
Name 2,7,8-Tris(benzoyloxy)dodec-5-enoic-1,9-lactone
Alternate Name(s) 4,9-bis(benzoyloxy)-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 C33H32O8
InChI InChI=1S/C33H32O8/c1-2-14-26-29(41-32(36)25-19-10-5-11-20-25)27(38-30(34)23-15-6-3-7-16-23)21-12-13-22-28(33(37)39-26)40-31(35)24-17-8-4-9-18-24/h3-12,15-21,26-29H,2,13-14,22H2,1H3/b21-12-
InChIKey MIGJAKUHJFNDOS-MTJSOVHGSA-N
Molecular Weight 556.611 g/mol
SMILES C1(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)\C=C/CCC(OC(=O)c2ccccc2)C(OC1CCC)=O
SPLASH splash10-0a6r-7900000000-c580544ea055db6cee12
Source of Spectrum J-65-3439-11
Wiley ID 1532323