| SpectraBase Spectrum ID |
KIZJVPKNrIM |
| Name |
Carprofen-M (HO-) isomer-1 3ME |
| Classification |
Analgesic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
331.097521141 u |
| Formula |
C18H18ClNO3 |
| InChI |
InChI=1S/C18H18ClNO3/c1-10(18(21)23-4)11-5-6-12-13-8-14(19)17(22-3)9-16(13)20(2)15(12)7-11/h5-10H,1-4H3 |
| InChIKey |
IJKGJLCYNCKBPG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
331.799 g/mol |
| SMILES |
c12cc(Cl)c(cc2[n](C)c2c1ccc(c2)C(C)C(OC)=O)OC |
| SPLASH |
splash10-0089-0296000000-63f661f1bec0ab16a2b0 |
| 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: UME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6288 |
