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3-Methyl-2-butenoic acid, 2-adamantyl ester

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3-Methyl-2-butenoic acid, 2-adamantyl ester
SpectraBase Compound ID 6riMmdctfvc
InChI InChI=1S/C15H22O2/c1-9(2)3-14(16)17-15-12-5-10-4-11(7-12)8-13(15)6-10/h3,10-13,15H,4-8H2,1-2H3/t10-,11+,12-,13+,15-
InChIKey LMSPDAIXUVNYEO-XCYDRWPUSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLH3tg2xyvm
Name 3-Methyl-2-butenoic acid, 2-adamantyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-9(2)3-14(16)17-15-12-5-10-4-11(7-12)8-13(15)6-10/h3,10-13,15H,4-8H2,1-2H3/t10-,11+,12-,13+,15-
InChIKey LMSPDAIXUVNYEO-XCYDRWPUSA-N
Molecular Weight 234.339 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2OC(=O)C=C(C)C)(C[C@](C1)(C3)[H])[H])[H])[H]