| SpectraBase Spectrum ID |
99QWHO8RgYs |
| Name |
Tricyclo[2.2.1.02,6]heptane-3-methanol (D3) |
| Alternate Name(s) |
2,3,3-Trideuterio-3-nortricyclylcarbinol
3,3,4-Trideuterio-3-nortricyclylcarbinol
Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, trideuterio-
Trideutero-tricyclo[2.2.1.02,6]heptane-3-methanol |
| CAS Registry Number |
4337-95-5 |
| Comments |
Note: The molecular formula of the structure shown is C8H12O - which differs from the formula reported for the mass spectrum (C8H9D3O) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H9D3O |
| InChI |
InChI=1S/C8H12O/c9-3-7-4-1-5-6(2-4)8(5)7/h4-9H,1-3H2/t4-,5+,6-,7-,8+/m0/s1 |
| InChIKey |
FXWAAWHDZRKKNY-GWVFRZDISA-N |
| Molecular Weight |
124.183 g/mol |
| SMILES |
OC[C@@]1([C@]2([C@]3([C@@]2(C[C@]1(C3)[H])[H])[H])[H])[H] |
| SPLASH |
splash10-0006-9200000000-bda1fcc49637e480158b |
| Source of Spectrum |
AG-90-84-1 |
| Wiley ID |
1129128 |
![3-Hydroxymethyl-tricyclo-[2.2.1.0(2,6)]-heptane](/api/spectrum/99QWHO8RgYs/structure.png?h=300&w=458 "3-Hydroxymethyl-tricyclo-[2.2.1.0(2,6)]-heptane")
