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11-Nor-9-carboxy-delta-9-tetrahydrocannabinol-D3 2TMS
SpectraBase Compound ID FjOA05kHFG6
InChI InChI=1S/C27H44O4Si2/c1-10-11-12-13-19-16-23-25(24(17-19)30-32(4,5)6)21-18-20(26(28)31-33(7,8)9)14-15-22(21)27(2,3)29-23/h16-18,21-22H,10-15H2,1-9H3/i2D3
InChIKey RLALMBCUXILXIS-BMSJAHLVSA-N
Mol Weight 491.8 g/mol
Molecular Formula C27H41D3O4Si2
Exact Mass 491.296643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IdpeexPFgm
Name 11-Nor-9-carboxy-delta-9-tetrahydrocannabinol-D3 2TMS
Classification Deuterated reference standard derivative
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 491.296643201 u
Formula C27H41D3O4Si2
InChI InChI=1S/C27H44O4Si2/c1-10-11-12-13-19-16-23-25(24(17-19)30-32(4,5)6)21-18-20(26(28)31-33(7,8)9)14-15-22(21)27(2,3)29-23/h16-18,21-22H,10-15H2,1-9H3/i2D3
InChIKey RLALMBCUXILXIS-BMSJAHLVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 491.833 g/mol
Nominal Mass 491 u
Quality 900
Retention Index 3626
SMILES C1(C2C(C3=C(O1)C=C(C=C3O[Si](C)(C)C)CCCCC)C=C(C(O[Si](C)(C)C)=O)CC2)(C([D])([D])[D])C
SPLASH splash10-00fr-9558600000-c35690e39e9b97af9c3a
Sample Comments Deuterium position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trimethylsilyl 6-(2H3)methyl-6-methyl-3-pentyl-1-((trimethylsilyl)oxy)-6a,7,8,10a-tetrahydro-6H-\rbenzo[c]chromene-9-carboxylate
Technique GC/MS
Wiley ID DD2024_009333