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(1R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-chlorobenzoate

View entire compound with spectra: 1 NMR

(1R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-chlorobenzoate
SpectraBase Compound ID 1GUHMULI7ok
InChI InChI=1S/C17H21ClO2/c1-16(2)12-7-8-17(16,3)14(10-12)20-15(19)11-5-4-6-13(18)9-11/h4-6,9,12,14H,7-8,10H2,1-3H3/t12-,14+,17+/m1/s1
InChIKey FURJZQGTPYIXDV-IFIJOSMWSA-N
Mol Weight 292.81 g/mol
Molecular Formula C17H21ClO2
Exact Mass 292.123008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6GzfR2WW7nM
Name (1R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-chlorobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.123007614 u
Formula C17H21ClO2
InChI InChI=1S/C17H21ClO2/c1-16(2)12-7-8-17(16,3)14(10-12)20-15(19)11-5-4-6-13(18)9-11/h4-6,9,12,14H,7-8,10H2,1-3H3/t12-,14+,17+/m1/s1
InChIKey FURJZQGTPYIXDV-IFIJOSMWSA-N
Molecular Weight 292.806 g/mol
SMILES [C@@]1([C@@]2(CC[C@](C1)(C2(C)C)[H])C)(OC(=O)C1=CC=CC(=C1)Cl)[H]