| SpectraBase Compound ID | HpdT2VEvHM9 |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-12(7-13,8-14)9-16-11(15)10-5-3-2-4-6-10/h2-6,13-14H,7-9H2,1H3 |
| InChIKey | VSBHZCGIAPYHNH-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2gg2IW6C3AJ |
|---|---|
| Name | 1,3-PROPANEDIOL, 2-(HYDROXYMETHYL)-2-METHYL-, MONOBENZOATE |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-12(7-13,8-14)9-16-11(15)10-5-3-2-4-6-10/h2-6,13-14H,7-9H2,1H3 |
| InChIKey | VSBHZCGIAPYHNH-UHFFFAOYSA-N |
| Molecular Weight | 224.1044 |
| SMILES | OCC(CO)(C)COC(=O)c1ccccc1 |
| SPLASH | splash10-0ab9-7900000000-6f20eda98ea279d111a4 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |