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Androstan-7-one, cyclic 1,2-ethanediyl acetal

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Androstan-7-one, cyclic 1,2-ethanediyl acetal
SpectraBase Compound ID 39yOY59LJN2
InChI InChI=1S/C21H34O2/c1-19-9-5-7-16(19)18-17(8-11-19)20(2)10-4-3-6-15(20)14-21(18)22-12-13-23-21/h15-18H,3-14H2,1-2H3
InChIKey DLBPMTKEONIBTG-UHFFFAOYSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5T4Cx4l0chs
Name Androstan-7-one, cyclic 1,2-ethanediyl acetal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.255880333 u
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-19-9-5-7-16(19)18-17(8-11-19)20(2)10-4-3-6-15(20)14-21(18)22-12-13-23-21/h15-18H,3-14H2,1-2H3
InChIKey DLBPMTKEONIBTG-UHFFFAOYSA-N
Molecular Weight 318.501 g/mol
SMILES CC12C3C(C4(CC2CCCC1)OCCO4)C1C(CC3)(C)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832057