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

*Links on SpectraBase are not permalinks.
(3R,6S)-3-Isopropyl-5-methoxy-1,4-diazabicyclo[4.4.0]deca-4,8-dien-2-one
SpectraBase Compound ID IitRTky7ui1
InChI InChI=1S/C12H18N2O2/c1-8(2)10-12(15)14-7-5-4-6-9(14)11(13-10)16-3/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKey XYIIHCWRAPLQRO-VHSXEESVSA-N
Mol Weight 222.29 g/mol
Molecular Formula C12H18N2O2
Exact Mass 222.136828 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 6P9BymvndEV
Name (3R,6S)-3-Isopropyl-5-methoxy-1,4-diazabicyclo[4.4.0]deca-4,8-dien-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N2O2
InChI InChI=1S/C12H18N2O2/c1-8(2)10-12(15)14-7-5-4-6-9(14)11(13-10)16-3/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKey XYIIHCWRAPLQRO-VHSXEESVSA-N
Molecular Weight 222.288 g/mol
SMILES C1(=N[C@@](C(N2CC=CC[C@@]12[H])=O)(C(C)C)[H])OC
SPLASH splash10-0006-9200000000-8b85675c1cf1a82563e1
Source of Spectrum QC-8-1859-8
Synonyms (3R,9aS)-3-isopropyl-1-methoxy-3,6,9,9a-tetrahydro-4H-pyrido[1,2-a]pyrazin-4-one
Wiley ID 869928