Carbamic acid, (phenylmethyl)-, [3-(1-pentadecynyl)oxiranyl]methyl ester, (2R-trans)-

SpectraBase Compound ID	5jgDtX49Ahr
InChI	InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24-25(30-24)22-29-26(28)27-21-23-18-15-14-16-19-23/h14-16,18-19,24-25H,2-13,21-22H2,1H3,(H,27,28)/t24-,25-/m1/s1
InChIKey	JHFRWHRFXWVKLK-JWQCQUIFSA-N Google Search
Mol Weight	413.6 g/mol
Molecular Formula	C26H39NO3
Exact Mass	413.292994 g/mol

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SpectraBase Spectrum ID	1IptUe7ikP3
Name	Carbamic acid, (phenylmethyl)-, [3-(1-pentadecynyl)oxiranyl]methyl ester, (2R-trans)-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	413.292994117 u
Formula	C26H39NO3
InChI	InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24-25(30-24)22-29-26(28)27-21-23-18-15-14-16-19-23/h14-16,18-19,24-25H,2-13,21-22H2,1H3,(H,27,28)/t24-,25-/m1/s1
InChIKey	JHFRWHRFXWVKLK-JWQCQUIFSA-N
Molecular Weight	413.602 g/mol
SMILES	[C@]1(O[C@@]1(C#CCCCCCCCCCCCCC)[H])(COC(NCC1=CC=CC=C1)=O)[H]