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

*Links on SpectraBase are not permalinks.
Tetrahydrocannabinol-cyanomethylether
SpectraBase Compound ID CiyIGDZh7VL
InChI InChI=1S/C23H31NO2/c1-5-6-7-8-17-14-20(25-12-11-24)22-18-13-16(2)9-10-19(18)23(3,4)26-21(22)15-17/h13-15,18-19H,5-10,12H2,1-4H3/t18-,19-/m1/s1
InChIKey ZHRSNOKTZVTYGE-RTBURBONSA-N
Mol Weight 353.51 g/mol
Molecular Formula C23H31NO2
Exact Mass 353.235479 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 JIt2zdkwa00
Name Tetrahydrocannabinol-cyanomethylether
Classification Drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 353.235479240 u
Formula C23H31NO2
InChI InChI=1S/C23H31NO2/c1-5-6-7-8-17-14-20(25-12-11-24)22-18-13-16(2)9-10-19(18)23(3,4)26-21(22)15-17/h13-15,18-19H,5-10,12H2,1-4H3/t18-,19-/m1/s1
InChIKey ZHRSNOKTZVTYGE-RTBURBONSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 353.506 g/mol
Nominal Mass 353 u
Quality 953
Retention Index 2717
SMILES [C@@]12([C@](C3=C(OC2(C)C)C=C(C=C3OCC#N)CCCCC)(C=C(CC1)C)[H])[H]
SPLASH splash10-0ly9-1495000000-35a8932b13fdbaf5344c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)oxy)acetonitrile
Technique GC/MS
Wiley ID DD2024_008885