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

*Links on SpectraBase are not permalinks.
(11E)-(+-)-[11-Ethylidene-5,8,9,10-tetrahydro-7-methyl-5,9-methanocycloocta[d]pyrimidin-9-yl]carbamic acid methyl ester
SpectraBase Compound ID AKBhutnUpuf
InChI InChI=1S/C17H21N3O3/c1-5-13-11-6-10(2)7-17(13,20-16(21)23-4)8-14-12(11)9-18-15(19-14)22-3/h5-6,9,11H,7-8H2,1-4H3,(H,20,21)/b13-5+/t11-,17-/m1/s1
InChIKey KLYGMQBLBKMQBH-JHVSYAPTSA-N
Mol Weight 315.37 g/mol
Molecular Formula C17H21N3O3
Exact Mass 315.158292 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 EplBTzVXdcH
Name (11E)-(+-)-[11-Ethylidene-5,8,9,10-tetrahydro-7-methyl-5,9-methanocycloocta[d]pyrimidin-9-yl]carbamic acid methyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O3
InChI InChI=1S/C17H21N3O3/c1-5-13-11-6-10(2)7-17(13,20-16(21)23-4)8-14-12(11)9-18-15(19-14)22-3/h5-6,9,11H,7-8H2,1-4H3,(H,20,21)/b13-5+/t11-,17-/m1/s1
InChIKey KLYGMQBLBKMQBH-JHVSYAPTSA-N
Molecular Weight 315.373 g/mol
SMILES N([C@@]12\C([C@](C=C(C2)C)(c2c(C1)nc(nc2)OC)[H])=C\C)C(=O)OC
SPLASH splash10-014i-0009000000-53e42f974a8ecacb97ed
Source of Spectrum KC-0-1296-26
Synonyms methyl (13E)-13-ethylidene-5-methoxy-11-methyl-4,6-diazatricyclo[7.3.1.0(2,7)]trideca-2,4,6,11-tetraen-9-ylcarbamate [13-Eth-(E)-ylidene-5-methoxy-11-methyl-4,6-diaza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,5,11-tetraen-9-yl]-carbamic acid methyl ester
Wiley ID 785923