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1,3,5-Trooxane[3]:(4-oxa-3-oxoheptylidene):2-oxa-1-phenylpropane
SpectraBase Compound ID Ksax5GjvEcY
InChI InChI=1S/C69H84O15/c70-64(40-61(49-73-43-55-22-7-1-8-23-55)50-74-44-56-24-9-2-10-25-56)79-37-19-34-67-82-68(35-20-38-80-65(71)41-62(51-75-45-57-26-11-3-12-27-57)52-76-46-58-28-13-4-14-29-58)84-69(83-67)36-21-39-81-66(72)42-63(53-77-47-59-30-15-5-16-31-59)54-78-48-60-32-17-6-18-33-60/h1-18,22-33,61-63,67-69H,19-21,34-54H2
InChIKey HGTBQBQJERWSHM-UHFFFAOYSA-N
Mol Weight 1153.4 g/mol
Molecular Formula C69H84O15
Exact Mass 1152.581022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdUg7Fbl1l4
Name 1,3,5-Trooxane[3]:(4-oxa-3-oxoheptylidene):2-oxa-1-phenylpropane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C69H84O15
InChI InChI=1S/C69H84O15/c70-64(40-61(49-73-43-55-22-7-1-8-23-55)50-74-44-56-24-9-2-10-25-56)79-37-19-34-67-82-68(35-20-38-80-65(71)41-62(51-75-45-57-26-11-3-12-27-57)52-76-46-58-28-13-4-14-29-58)84-69(83-67)36-21-39-81-66(72)42-63(53-77-47-59-30-15-5-16-31-59)54-78-48-60-32-17-6-18-33-60/h1-18,22-33,61-63,67-69H,19-21,34-54H2
InChIKey HGTBQBQJERWSHM-UHFFFAOYSA-N
Molecular Weight 1153.416 g/mol
SMILES C1(OC(OC(O1)CCCOC(=O)CC(COCc1ccccc1)COCc1ccccc1)CCCOC(=O)CC(COCc1ccccc1)COCc1ccccc1)CCCOC(=O)CC(COCc1ccccc1)COCc1ccccc1
SPLASH splash10-004i-0000900000-9b5289f2b8e07d65ed90
Source of Spectrum KC-57-6187-28
Wiley ID 1625118