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trans-8,18-diphenyl-1,7,10,16-tetraoxacyclooctadecane-2,6,11,15-tetrone
SpectraBase Compound ID B7iigcvMyk2
InChI InChI=1S/C26H28O8/c27-23-13-7-14-24(28)32-18-22(20-11-5-2-6-12-20)34-26(30)16-8-15-25(29)33-21(17-31-23)19-9-3-1-4-10-19/h1-6,9-12,21-22H,7-8,13-18H2/t21-,22-/m0/s1
InChIKey YAURYPNULLCHNO-VXKWHMMOSA-N
Mol Weight 468.5 g/mol
Molecular Formula C26H28O8
Exact Mass 468.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8O3ViX50p3Z
Name trans-8,18-diphenyl-1,7,10,16-tetraoxacyclooctadecane-2,6,11,15-tetrone
Alternate Name(s) (2R,12R)-2,12-diphenyl-1,4,10,13-tetraoxacyclooctadecane-5,9,14,18-tetrone
CAS Registry Number 120409-23-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O8
InChI InChI=1S/C26H28O8/c27-23-13-7-14-24(28)32-18-22(20-11-5-2-6-12-20)34-26(30)16-8-15-25(29)33-21(17-31-23)19-9-3-1-4-10-19/h1-6,9-12,21-22H,7-8,13-18H2/t21-,22-/m0/s1
InChIKey YAURYPNULLCHNO-VXKWHMMOSA-N
Molecular Weight 468.502 g/mol
SMILES C1(O[C@@](COC(CCCC(OC[C@](OC(CCC1)=O)(c1ccccc1)[H])=O)=O)(c1ccccc1)[H])=O
SPLASH splash10-0a4i-9020000000-dccb6e0c6888bedd51b6
Source of Spectrum J-54-2645-4
Wiley ID 1392410