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Dimethyl 4,5-Di(1-adamantyl)phthalate

View entire compound with spectra: 1 MS (GC)

Dimethyl 4,5-Di(1-adamantyl)phthalate
SpectraBase Compound ID 3fBo4DzhYeT
InChI InChI=1S/C30H38O4/c1-33-27(31)23-9-25(29-11-17-3-18(12-29)5-19(4-17)13-29)26(10-24(23)28(32)34-2)30-14-20-6-21(15-30)8-22(7-20)16-30/h9-10,17-22H,3-8,11-16H2,1-2H3
InChIKey JZKNBBZEPJQHSQ-UHFFFAOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C30H38O4
Exact Mass 462.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNWhELxcHyh
Name Dimethyl 4,5-Di(1-adamantyl)phthalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38O4
InChI InChI=1S/C30H38O4/c1-33-27(31)23-9-25(29-11-17-3-18(12-29)5-19(4-17)13-29)26(10-24(23)28(32)34-2)30-14-20-6-21(15-30)8-22(7-20)16-30/h9-10,17-22H,3-8,11-16H2,1-2H3
InChIKey JZKNBBZEPJQHSQ-UHFFFAOYSA-N
Molecular Weight 462.630 g/mol
SMILES C12(c3c(C45CC6CC(C5)CC(C4)C6)cc(c(c3)C(=O)OC)C(=O)OC)CC3CC(C2)CC(C1)C3
SPLASH splash10-000i-0900000000-cd803d3b7c8b76e60cf5
Source of Spectrum J-63-4922-20
Wiley ID 1391201