| SpectraBase Spectrum ID |
3WDJNbCIKtA |
| Name |
1-Propan-1-13C-ol, 2,2-dimethyl-, benzoate |
| CAS Registry Number |
1864-00-2 |
| Comments |
Original formula: C11[13C]H16O2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-12(2,3)9-14-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/i9+1 |
| InChIKey |
ZBPDCWGVJKTGND-QBZHADDCSA-N |
| Molecular Weight |
193.250 g/mol |
| SMILES |
[13CH2](OC(=O)c1ccccc1)C(C)(C)C |
| SPLASH |
splash10-0a4i-3900000000-e79854f9d9ff262d347c |
| Source of Spectrum |
AD-0-4785-0 |
| Synonyms |
1-(13)c-neopentyl benzoate |
| Wiley ID |
21188 |
