| SpectraBase Spectrum ID |
8rdI4PuPCo5 |
| Name |
1,3-Propane diol phenylboronate |
| Classification |
Chemical |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
162.085209762 u |
| Formula |
C9H11BO2 |
| InChI |
InChI=1S/C9H11BO2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2 |
| InChIKey |
QLWMDSAMEIJLQB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
161.995 g/mol |
| Related CAS Registry Number(s) |
504-63-2 |
| SMILES |
c1(ccccc1)B1OCCCO1 |
| SPLASH |
splash10-0w29-3900000000-2706f143e9d9c6c6cf9b |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
1,3-Propane diol phenylboronate |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1899 |
