| SpectraBase Spectrum ID |
6F5qqEVxV1E |
| Name |
1-Bromo-3-[3'-(methoxyethoxy)methoxy]estra-1',3',5'(10')-trien-17'-yloxy]propana |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.187522667 u |
| Formula |
C25H37BrO4 |
| InChI |
InChI=1S/C25H37BrO4/c1-25-11-10-21-20-7-5-19(30-17-28-15-14-27-2)16-18(20)4-6-22(21)23(25)8-9-24(25)29-13-3-12-26/h5,7,16,21-24H,3-4,6,8-15,17H2,1-2H3/t21-,22-,23+,24+,25+/m1/s1 |
| InChIKey |
UQVORWAFYFYOIK-VAFBSOEGSA-N |
| Molecular Weight |
481.471 g/mol |
| SMILES |
[C@@]12([C@]([C@]3([C@](C4=CC=C(C=C4CC3)OCOCCOC)([H])CC2)[H])(CC[C@@]1(OCCCBr)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907292 |
![1-Bromo-3-[3'-(methoxyethoxy)methoxy]estra-1',3',5'(10')-trien-17'-yloxy]propana](/api/spectrum/6F5qqEVxV1E/structure.png?h=300&w=458 "1-Bromo-3-[3'-(methoxyethoxy)methoxy]estra-1',3',5'(10')-trien-17'-yloxy]propana")
