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(1R,2S,5R)-8-Phenylmenthyl N-Benzoyl-(S)-.alpha.-methylpropargylglycinate
SpectraBase Compound ID G8C0J3Mqt34
InChI InChI=1S/C29H35NO3/c1-6-22(3)30(28(32)23-13-9-7-10-14-23)20-27(31)33-26-19-21(2)17-18-25(26)29(4,5)24-15-11-8-12-16-24/h1,7-16,21-22,25-26H,17-20H2,2-5H3/t21-,22?,25?,26+/m1/s1
InChIKey XUANCLOKSJMZCR-ZMSITVSZSA-N
Mol Weight 445.6 g/mol
Molecular Formula C29H35NO3
Exact Mass 445.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7b61vxhx4M
Name (1R,2S,5R)-8-Phenylmenthyl N-Benzoyl-(S)-.alpha.-methylpropargylglycinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35NO3
InChI InChI=1S/C29H35NO3/c1-6-22(3)30(28(32)23-13-9-7-10-14-23)20-27(31)33-26-19-21(2)17-18-25(26)29(4,5)24-15-11-8-12-16-24/h1,7-16,21-22,25-26H,17-20H2,2-5H3/t21-,22?,25?,26+/m1/s1
InChIKey XUANCLOKSJMZCR-ZMSITVSZSA-N
Molecular Weight 445.603 g/mol
SMILES C(N(CC(O[C@@]1(C(C(c2ccccc2)(C)C)CC[C@](C1)(C)[H])[H])=O)C(C#C)C)(=O)c1ccccc1
SPLASH splash10-001r-0490000000-0f672a5f2d1784e7bc69
Source of Spectrum J-60-1237-14
Synonyms (1S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl[benzoyl(1-methyl-2-propynyl)amino]acetate
Wiley ID 1386413