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iso-Hexahydrocannabinol
SpectraBase Compound ID 1SrLei3aU21
InChI InChI=1S/C21H32O2/c1-5-6-7-8-15-11-18(22)20-17-13-21(4,23-19(20)12-15)10-9-16(17)14(2)3/h11-12,14,16-17,22H,5-10,13H2,1-4H3/t16-,17+,21+/m0/s1
InChIKey OEDPJGVWHANUAE-CSODHUTKSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpzIU0JBa7N
Name iso-Hexahydrocannabinol
Catalog Number 37851
Lot Number 677589
CAS Registry Number 23050-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.240230268 u
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-5-6-7-8-15-11-18(22)20-17-13-21(4,23-19(20)12-15)10-9-16(17)14(2)3/h11-12,14,16-17,22H,5-10,13H2,1-4H3/t16-,17+,21+/m0/s1
InChIKey OEDPJGVWHANUAE-CSODHUTKSA-N
Purity >=98%
Quality 999
SMILES OC1=CC(=CC=2O[C@]3(C[C@@](C12)([C@@](CC3)(C(C)C)[H])[H])C)CCCCC
SPLASH splash10-001i-2691000000-e9f416bb6ba9d365be17
Source of Spectrum CAY-2024-2353-0
Synonyms iso-HHC dihydro-iso-Tetrahydrocannabinol dihydro-iso-THC (2R,5S,6R)-5-isopropyl-2-methyl-9-pentyl-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[b]oxocin-7-ol (9R,12S)-9-methyl-5-pentyl-12-(propan-2-yl)-8-oxatricyclo[7.3.1.0(2,7)]trideca-2(7),3,5-trien-3-ol
Wiley ID 1890524