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L-Proline, N-(3-methylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID 4HDrb5i4ZZG
InChI InChI=1S/C27H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-31-27(30)25-19-16-20-28(25)26(29)24-18-15-17-23(2)22-24/h15,17-18,22,25H,3-14,16,19-21H2,1-2H3
InChIKey RFDAYCKCGVOSKK-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C27H43NO3
Exact Mass 429.324294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COX5q5dvd9V
Name L-Proline, N-(3-methylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 429.324294246 u
Formula C27H43NO3
InChI InChI=1S/C27H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-31-27(30)25-19-16-20-28(25)26(29)24-18-15-17-23(2)22-24/h15,17-18,22,25H,3-14,16,19-21H2,1-2H3
InChIKey RFDAYCKCGVOSKK-UHFFFAOYSA-N
Molecular Weight 429.645 g/mol
SMILES C1(=CC=CC(=C1)C(N1CCCC1C(=O)OCCCCCCCCCCCCCC)=O)C