John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4MlxYg4kTst SpectraBase Spectrum ID=2AbLsgON4mv

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Norgestimate
SpectraBase Compound ID 4MlxYg4kTst
InChI InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/t18-,19+,20+,21-,22-,23-/m0/s1
InChIKey KIQQMECNKUGGKA-GOMYTPFNSA-N
Mol Weight 369.51 g/mol
Molecular Formula C23H31NO3
Exact Mass 369.230394 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2AbLsgON4mv
Name Norgestimate
Source of Sample Steraloids Inc.
Catalog Number E3530-000
Lot Number C258
CAS Registry Number 35189-28-7
Classification estrone type
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Formula C23H31NO3
InChI InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/t18-,19+,20+,21-,22-,23-/m0/s1
InChIKey KIQQMECNKUGGKA-GOMYTPFNSA-N
Melting Point 120.0 - 130.0 °C
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Sadtler IR Number DW2600
Source of Spectrum Forensic Spectral Research
SpectraBase Batch ID 64QIJrsFNyi
Synonyms 4-Estren-17a-ethynyl-18-homo-17b-ol-3-one (-)-acetate-oxime
Technique FT-Raman