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

*Links on SpectraBase are not permalinks.
(3aR,7aR)-4-Acetyl-2-methyl-6-phenyl-3a,4,7,7a-tetrahydro-3H-pyrrolo[3,2-e][1,2,4]-triazine-1-carboxylic acid ethyl ester
SpectraBase Compound ID LAf0CM4w9MP
InChI InChI=1S/C17H20N4O3/c1-4-24-17(23)13-10(2)18-16-14(13)19-15(20-21(16)11(3)22)12-8-6-5-7-9-12/h5-9,14,16,18H,4H2,1-3H3,(H,19,20)/t14-,16-/m1/s1
InChIKey ZGKFLMTZCQCKBH-GDBMZVCRSA-N
Mol Weight 328.37 g/mol
Molecular Formula C17H20N4O3
Exact Mass 328.153541 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 Ex9t8uoNBXi
Name (3aR,7aR)-4-Acetyl-2-methyl-6-phenyl-3a,4,7,7a-tetrahydro-3H-pyrrolo[3,2-e][1,2,4]-triazine-1-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4O3
InChI InChI=1S/C17H20N4O3/c1-4-24-17(23)13-10(2)18-16-14(13)19-15(20-21(16)11(3)22)12-8-6-5-7-9-12/h5-9,14,16,18H,4H2,1-3H3,(H,19,20)/t14-,16-/m1/s1
InChIKey ZGKFLMTZCQCKBH-GDBMZVCRSA-N
Molecular Weight 328.372 g/mol
SMILES N1C(=C([C@@]2([C@]1(N(N=C(N2)c1ccccc1)C(=O)C)[H])[H])C(=O)OCC)C
SPLASH splash10-0fi0-0955000000-9aec1b1ca49a9e63aeb8
Source of Spectrum Y1-44-2423-3
Synonyms Ethyl (4aR,7aR)-1-acetyl-6-methyl-3-phenyl-4,4a,7,7a-tetrahydro-1H-pyrrolo[3,2-e][1,2,4]triazine-5-carboxylate Ethyl 4-Acetyl-2-methyl-6-phenylpyrrolo[3,2-e][1,2,4]-triazine-1-carboxylate
Wiley ID 1621375