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Tricyclo[2.2.1.02,6]heptane-3-D

View entire compound with spectra: 1 MS (GC)

Tricyclo[2.2.1.02,6]heptane-3-D
SpectraBase Compound ID EHSyEx295Mp
InChI InChI=1S/C7H10/c1-4-2-6-5(1)7(6)3-4/h4-7H,1-3H2/t4-,5+,6-,7+/i1D/t1-,4-,5+,6-,7+/m1/s1
InChIKey BYBGSCXPMGPLFP-ACRDHJNMSA-N
Mol Weight 95.16 g/mol
Molecular Formula C7H9D
Exact Mass 95.084527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkrJ5EG7b4e
Name Tricyclo[2.2.1.02,6]heptane-3-D
Alternate Name(s) 3-Deutero-tricyclo[2.2.1.0(2,6)]heptane
CAS Registry Number 144630-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9D
InChI InChI=1S/C7H10/c1-4-2-6-5(1)7(6)3-4/h4-7H,1-3H2/t4-,5+,6-,7+/i1D/t1-,4-,5+,6-,7+/m1/s1
InChIKey BYBGSCXPMGPLFP-ACRDHJNMSA-N
Molecular Weight 95.163 g/mol
SMILES [C@@]12(C[C@]3([C@]([C@@]1([C@]2(C3)[H])[H])([D])[H])[H])[H]
SPLASH splash10-017i-9000000000-c556d341c05d3fac9f44
Wiley ID 1494098