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16 - or 17 - nor - 13 - Methyl - podocarpa - 6,8,11,13 - tetraene

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16 - or 17 - nor - 13 - Methyl - podocarpa - 6,8,11,13 - tetraene
SpectraBase Compound ID Dseqw827M1z
InChI InChI=1S/C17H22/c1-12-6-8-16-14(11-12)7-9-15-13(2)5-4-10-17(15,16)3/h6-9,11,13,15H,4-5,10H2,1-3H3
InChIKey BAOMAZJEMPIAQN-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C17H22
Exact Mass 226.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5iA4ZsI8OcC
Name 16 - or 17 - nor - 13 - Methyl - podocarpa - 6,8,11,13 - tetraene
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 226.172150708 u
Formula C17H22
InChI InChI=1S/C17H22/c1-12-6-8-16-14(11-12)7-9-15-13(2)5-4-10-17(15,16)3/h6-9,11,13,15H,4-5,10H2,1-3H3
InChIKey BAOMAZJEMPIAQN-UHFFFAOYSA-N
Molecular Weight 226.363 g/mol
SMILES C12(C3=C(C=C(C=C3)C)C=CC1C(C)CCC2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954956