| SpectraBase Spectrum ID |
DQ5D9aOfhxU |
| Name |
Scopolamine -H2O @ |
| Classification |
Anticholinergic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
285.136493473 u |
| Formula |
C17H19NO3 |
| InChI |
InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12?,13-,14+,15?,16? |
| InChIKey |
JJNVDCBKBUSUII-KDJGIRDZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
285.343 g/mol |
| Related CAS Registry Number(s) |
51-34-3 |
| SMILES |
CN1[C@]2(C3OC3[C@@]1(CC(C2)OC(C(=C)c1ccccc1)=O)[H])[H] |
| SPLASH |
splash10-0f76-9600000000-30d2f74e08352141afe9 |
| 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 |
Butylscopolaminium bromide-M/artifact (scopolamine) -H2O |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_960 |
