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2-Adamantylbenzo-18-crown-6
SpectraBase Compound ID HsOrSRGct3x
InChI InChI=1S/C26H38O6/c1-2-24-25(16-23(1)26-17-20-13-21(18-26)15-22(14-20)19-26)32-12-10-30-8-6-28-4-3-27-5-7-29-9-11-31-24/h1-2,16,20-22H,3-15,17-19H2/t20-,21+,22-,26-
InChIKey JLODMNFFMUCXQS-CJMBIHEQSA-N
Mol Weight 446.6 g/mol
Molecular Formula C26H38O6
Exact Mass 446.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKT4Syf7J89
Name 2-Adamantylbenzo-18-crown-6
Alternate Name(s) 18-(1-adamantyl)-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O6
InChI InChI=1S/C26H38O6/c1-2-24-25(16-23(1)26-17-20-13-21(18-26)15-22(14-20)19-26)32-12-10-30-8-6-28-4-3-27-5-7-29-9-11-31-24/h1-2,16,20-22H,3-15,17-19H2/t20-,21+,22-,26-
InChIKey JLODMNFFMUCXQS-CJMBIHEQSA-N
Molecular Weight 446.584 g/mol
SMILES C12(c3cc4OCCOCCOCCOCCOCCOc4cc3)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-006t-0791800000-3b9c7c1205dcb6f0a25c
Source of Spectrum O1-32-810-6
Wiley ID 818976