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

*Links on SpectraBase are not permalinks.

(1R,2S,4S)-2-([2-2H]Ethynyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

View entire compound with spectra: 1 MS (GC)

(1R,2S,4S)-2-([2-2H]Ethynyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SpectraBase Compound ID 8eozXNYDo71
InChI InChI=1S/C12H18O/c1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h1,9,13H,6-8H2,2-4H3/t9-,11+,12+/m0/s1/i1D
InChIKey ITXKRWUEVAGQKF-MJIRGCFQSA-N
Mol Weight 179.28 g/mol
Molecular Formula C12H172DO
Exact Mass 179.142042 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 FT2qK5pTNPn
Name (1R,2S,4S)-2-([2-2H]Ethynyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17DO
InChI InChI=1S/C12H18O/c1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h1,9,13H,6-8H2,2-4H3/t9-,11+,12+/m0/s1/i1D
InChIKey ITXKRWUEVAGQKF-MJIRGCFQSA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 179.281 g/mol
SMILES O[C@@]1(C(C)(C)[C@]2(CC[C@@]1(C2)C)[H])C#C[2D]
SPLASH splash10-000t-9300000000-aa9f301ec3bad28a99b9
Source of Spectrum H-87-2016-[2'_(2)H]_6
Synonyms (1R,2R,4S)-2-(ethynyl-d)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
Wiley ID 1785583