| SpectraBase Spectrum ID |
JJMNon3z4me |
| Name |
Clomiphene |
| CAS Registry Number |
911-45-5 |
| Classification |
Pharmaceutical drug, selective estrogen receptor modulator (SERM) |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
405.185942225 u |
| Formula |
C26H28ClNO |
| InChI |
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25- |
| InChIKey |
GKIRPKYJQBWNGO-QPLCGJKRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
405.969 g/mol |
| Nominal Mass |
405 u |
| Quality |
995 |
| Retention Index |
3047 |
| SMILES |
C1(\C(=C\(C2=CC=CC=C2)Cl)C2=CC=CC=C2)=CC=C(C=C1)OCCN(CC)CC |
| SPLASH |
splash10-000i-9110000000-bc6b3ccc36072f13fc5e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Clomifene
N-[2-[4-(2-Chloro-1,2-diphenyl-etheneyl)phenoxy]ethyl]-N-ethyl-ethanamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007532 |
