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(E)-2-(2-Hydroxycyclododecylidene)-2-phenylacetic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-2-(2-Hydroxycyclododecylidene)-2-phenylacetic acid
SpectraBase Compound ID CPd27ZQz2lr
InChI InChI=1S/C20H28O3/c21-18-15-11-6-4-2-1-3-5-10-14-17(18)19(20(22)23)16-12-8-7-9-13-16/h7-9,12-13,18,21H,1-6,10-11,14-15H2,(H,22,23)/b19-17+
InChIKey GMDWWUBFYAPUPB-HTXNQAPBSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NJm0G7Woi0
Name (E)-2-(2-Hydroxycyclododecylidene)-2-phenylacetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.203844759 u
Formula C20H28O3
InChI InChI=1S/C20H28O3/c21-18-15-11-6-4-2-1-3-5-10-14-17(18)19(20(22)23)16-12-8-7-9-13-16/h7-9,12-13,18,21H,1-6,10-11,14-15H2,(H,22,23)/b19-17+
InChIKey GMDWWUBFYAPUPB-HTXNQAPBSA-N
Molecular Weight 316.441 g/mol
SMILES C1(\C(=C\(C(=O)O)C=2C=CC=CC2)CCCCCCCCCC1)O