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4-Adamantan-1-yl-benzoic acid isopropyl ester
SpectraBase Compound ID HU5u9RYFakz
InChI InChI=1S/C20H26O2/c1-13(2)22-19(21)17-3-5-18(6-4-17)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3/t14-,15+,16-,20-
InChIKey IOBXKTNDEYBMEB-BMWJPVITSA-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 EUNMegSjP3v
Name 4-Adamantan-1-yl-benzoic acid isopropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-13(2)22-19(21)17-3-5-18(6-4-17)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3/t14-,15+,16-,20-
InChIKey IOBXKTNDEYBMEB-BMWJPVITSA-N
Molecular Weight 298.426 g/mol
SMILES C12(c3ccc(C(OC(C)C)=O)cc3)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]
SPLASH splash10-052o-7690000000-3b1d5bfe017df985433c
Synonyms 4-(1-adamantyl)benzoic acid isopropyl ester 4-(1-adamantyl)benzoic acid propan-2-yl ester Isopropyl 4-(1-adamantyl)benzoate Propan-2-yl 4-(1-adamantyl)benzoate
Wiley ID 1458165