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

*Links on SpectraBase are not permalinks.

Benzyl (1'S,2R,5R,6S)-2-(t-butyl)-5-(1'-hydroxy-2',2'-dimethylpropyl)-6-methyl-4-methoxy-5,6-dihydro-2H-pyrimidine-1-carboxylate

View entire compound with spectra: 3 MS (GC)

Benzyl (1'S,2R,5R,6S)-2-(t-butyl)-5-(1'-hydroxy-2',2'-dimethylpropyl)-6-methyl-4-methoxy-5,6-dihydro-2H-pyrimidine-1-carboxylate
SpectraBase Compound ID KsTWshGE62r
InChI InChI=1S/C23H36N2O4/c1-15-17(18(26)22(2,3)4)19(28-8)24-20(23(5,6)7)25(15)21(27)29-14-16-12-10-9-11-13-16/h9-13,15,17-18,20,26H,14H2,1-8H3/t15-,17+,18-,20+/m0/s1
InChIKey KYFCRJDYYCPGFA-ZNWBIBPKSA-N
Mol Weight 404.6 g/mol
Molecular Formula C23H36N2O4
Exact Mass 404.267508 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 74nngGPleSq
Name Benzyl rac-(1'S,2R,5R,6S)-2-(t-butyl)-5-(1'-hydroxy-2',2'-dimethylpropyl)-6-methyl-4-methoxy-5,6-dihydro-2H-pyrimidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O4
InChI InChI=1S/C23H36N2O4/c1-15-17(18(26)22(2,3)4)19(28-8)24-20(23(5,6)7)25(15)21(27)29-14-16-12-10-9-11-13-16/h9-13,15,17-18,20,26H,14H2,1-8H3/t15-,17+,18-,20+/m0/s1
InChIKey KYFCRJDYYCPGFA-ZNWBIBPKSA-N
Molecular Weight 404.551 g/mol
SMILES O[C@@]([C@@]1(C(OC)=N[C@](N([C@]1(C)[H])C(OCc1ccccc1)=O)(C(C)(C)C)[H])[H])(C(C)(C)C)[H]
SPLASH splash10-0002-0019000000-6d9e8fd189dbf65fd1a1
Source of Spectrum U1-1999-352-0
Wiley ID 752522