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2-(1-Adamantyl)ethyl 4-methylbenzoate

View entire compound with spectra: 1 MS (GC)

2-(1-Adamantyl)ethyl 4-methylbenzoate
SpectraBase Compound ID 9MXbNAg0IRC
InChI InChI=1S/C20H26O2/c1-14-2-4-18(5-3-14)19(21)22-7-6-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-5,15-17H,6-13H2,1H3/t15-,16+,17-,20+
InChIKey VXYJBKKJZCQVJQ-FRIOTGHOSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0JbCTFOYxK
Name 2-(1-Adamantyl)ethyl 4-methylbenzoate
Alternate Name(s) p-Toluic acid, 2-(1-adamantyl)ethyl ester p-Toluylic acid, 2-(1-adamantyl)ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-14-2-4-18(5-3-14)19(21)22-7-6-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-5,15-17H,6-13H2,1H3/t15-,16+,17-,20+
InChIKey VXYJBKKJZCQVJQ-FRIOTGHOSA-N
Molecular Weight 298.426 g/mol
SMILES C(OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)c1ccc(C)cc1
SPLASH splash10-03dr-3900000000-276643a8475d06639b2d
Source of Spectrum NP-10-110-0
Wiley ID 1108548