For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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
Mol Weight 413.6 g/mol
Molecular Formula C26H39NO3
Exact Mass 413.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HeB4OdGShhY
Name Carbamic acid, (phenylmethyl)-, [3-(1-pentadecynyl)oxiranyl]methyl ester, (2R-trans)-
CAS Registry Number 89117-59-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C(OC[C@]1(O[C@@]1(C#CCCCCCCCCCCCCC)[H])[H])=O)Cc1ccccc1
SPLASH splash10-0006-9000000000-96293f9449cc484366d8
Source of Spectrum H-69-371-7
Synonyms (2R,3R)-2,3-epoxyoctadec-4-ynyl N-benzylcarbamate [(2R,3R)-3-(1-pentadecynyl)oxiranyl]methyl benzylcarbamate
Wiley ID 1375081