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13,13-(Ethylenedioxy)-15,16-dinor-labd-7-en-6-one

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

13,13-(Ethylenedioxy)-15,16-dinor-labd-7-en-6-one
SpectraBase Compound ID 3Dg2vy9frAk
InChI InChI=1S/C20H32O3/c1-14-13-16(21)17-18(2,3)8-6-9-19(17,4)15(14)7-10-20(5)22-11-12-23-20/h13,15,17H,6-12H2,1-5H3/t15-,17-,19+/m0/s1
InChIKey OPXFJGBVFNGOAI-VDZJLULYSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CxUxlORxkFV
Name 13,13-(Ethylenedioxy)-15,16-dinor-labd-7-en-6-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.235144887 u
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-14-13-16(21)17-18(2,3)8-6-9-19(17,4)15(14)7-10-20(5)22-11-12-23-20/h13,15,17H,6-12H2,1-5H3/t15-,17-,19+/m0/s1
InChIKey OPXFJGBVFNGOAI-VDZJLULYSA-N
Molecular Weight 320.473 g/mol
SMILES C1CCC(C)(C)[C@]2([H])C(C=C(C)[C@@]([C@@]12C)(CCC1(C)OCCO1)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863593