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Ethynodiol diacetate

View entire compound with spectra: 1 NMR, 4 FTIR, 2 Raman, and 3 MS (GC)

Ethynodiol diacetate
SpectraBase Compound ID Dmk2x9ppFhu
InChI InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
InChIKey ONKUMRGIYFNPJW-KIEAKMPYSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H32O4
Exact Mass 384.23006 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9RVwzBc6v2S
Name Ethynodiol diacetate
Source of Sample Sigma-Aldrich Company LLC
Catalog Number E7263
Lot Number 040H0345
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 297-76-7
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
InChIKey ONKUMRGIYFNPJW-KIEAKMPYSA-N
Instrument Name Bio-Rad FTS
SMILES C1C[C@@](C=C2CC[C@]3([C@]4([C@](CC[C@@]3([C@@]12[H])[H])([C@](CC4)(OC(=O)C)C#C)C)[H])[H])(OC(C)=O)[H]
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms (3β, 17α)-19-Norpregn-4-en-20-yne-3,17-diol diacetate; 3β,17β-Diacetoxy-17α-ethynyl-4-estrene
Technique ATR-Neat