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2-Adamantylbenzo-12-crown-4
SpectraBase Compound ID Ci5nrnGkTVT
InChI InChI=1S/C22H30O4/c1-2-20-21(26-8-6-24-4-3-23-5-7-25-20)12-19(1)22-13-16-9-17(14-22)11-18(10-16)15-22/h1-2,12,16-18H,3-11,13-15H2/t16-,17+,18-,22-
InChIKey IZVFVUFKLUOPPM-MAMSFEPMSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33sGjOuiy7w
Name 2-Adamantylbenzo-12-crown-4
Alternate Name(s) 12-(1-adamantyl)-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-2-20-21(26-8-6-24-4-3-23-5-7-25-20)12-19(1)22-13-16-9-17(14-22)11-18(10-16)15-22/h1-2,12,16-18H,3-11,13-15H2/t16-,17+,18-,22-
InChIKey IZVFVUFKLUOPPM-MAMSFEPMSA-N
Molecular Weight 358.478 g/mol
SMILES C12(c3cc4OCCOCCOCCOc4cc3)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-0a4i-0229000000-5254b227ddfd15080543
Source of Spectrum O1-32-810-6
Wiley ID 818978