| SpectraBase Spectrum ID |
2r21ZXHiSW |
| Name |
Roxatidine artifact (phenol) |
| Classification |
H2-Blocker |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
191.131014170 u |
| Formula |
C12H17NO |
| InChI |
InChI=1S/C12H17NO/c14-12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2 |
| InChIKey |
ORGBERFQYFWYGX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
191.274 g/mol |
| SMILES |
C1CCN(Cc2cc(O)ccc2)CC1 |
| SPLASH |
splash10-0a5c-9600000000-0d26aa544f53721951cc |
| 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. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Roxatidine artifact (phenol) |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4201 |
