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(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2-(benzoyloxy)hexylcarbamate

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(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2-(benzoyloxy)hexylcarbamate
SpectraBase Compound ID Vj30egGuhb
InChI InChI=1S/C24H37NO4/c1-5-6-12-20(28-23(26)19-10-8-7-9-11-19)16-25-24(27)29-22-15-18(4)13-14-21(22)17(2)3/h7-11,17-18,20-22H,5-6,12-16H2,1-4H3,(H,25,27)/t18-,20?,21+,22-/m1/s1
InChIKey LIMAMPXQGZRENJ-ANQZQGJXSA-N
Mol Weight 403.6 g/mol
Molecular Formula C24H37NO4
Exact Mass 403.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pBv7pNsuVo
Name (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2-(benzoyloxy)hexylcarbamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.272258671 u
Formula C24H37NO4
InChI InChI=1S/C24H37NO4/c1-5-6-12-20(28-23(26)19-10-8-7-9-11-19)16-25-24(27)29-22-15-18(4)13-14-21(22)17(2)3/h7-11,17-18,20-22H,5-6,12-16H2,1-4H3,(H,25,27)/t18-,20?,21+,22-/m1/s1
InChIKey LIMAMPXQGZRENJ-ANQZQGJXSA-N
Molecular Weight 403.563 g/mol
SMILES [C@@]1(OC(NCC(OC(=O)C=2C=CC=CC2)CCCC)=O)([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H]