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5,7-dimethyl-3-carboxy-1-adamantylacetic acid di-n-butyl ester
SpectraBase Compound ID ICAQ4mRtW17
InChI InChI=1S/C23H38O4/c1-5-7-9-26-18(24)11-22-13-20(3)12-21(4,14-22)16-23(15-20,17-22)19(25)27-10-8-6-2/h5-17H2,1-4H3/t20-,21+,22-,23-
InChIKey GSZHKICSEOOCKJ-FGPOLRCOSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O4
Exact Mass 378.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0GZMXhrgpb
Name 5,7-dimethyl-3-carboxy-1-adamantylacetic acid di-n-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O4
InChI InChI=1S/C23H38O4/c1-5-7-9-26-18(24)11-22-13-20(3)12-21(4,14-22)16-23(15-20,17-22)19(25)27-10-8-6-2/h5-17H2,1-4H3/t20-,21+,22-,23-
InChIKey GSZHKICSEOOCKJ-FGPOLRCOSA-N
Ionization Type EI
Molecular Weight 378.553 g/mol
SMILES C1[C@@]2(C[C@]3(C[C@]1(C[C@@](C2)(C3)C(=O)OCCCC)C)CC(OCCCC)=O)C
SPLASH splash10-066r-3951000000-d45e889f89cc0fdfeb66
Source of Spectrum RU2605936C1
Wiley ID 1853158