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(7R,10R,11R)-Eudesm-4-en-11,12-isopropylidene ketal

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

(7R,10R,11R)-Eudesm-4-en-11,12-isopropylidene ketal
SpectraBase Compound ID EEwFxtgbZ2Z
InChI InChI=1S/C18H30O2/c1-13-7-6-9-17(4)10-8-14(11-15(13)17)18(5)12-19-16(2,3)20-18/h14H,6-12H2,1-5H3/t14?,17-,18?/m1/s1
InChIKey SUGDTOHZLAAOHV-ZCDVPAHGSA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2olFHvr0pRL
Name (7R,10R,11R)-Eudesm-4-en-11,12-isopropylidene ketal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.224580204 u
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-13-7-6-9-17(4)10-8-14(11-15(13)17)18(5)12-19-16(2,3)20-18/h14H,6-12H2,1-5H3/t14?,17-,18?/m1/s1
InChIKey SUGDTOHZLAAOHV-ZCDVPAHGSA-N
SMILES C1=2CC(C3(OC(C)(C)OC3)C)CC[C@]1(CCCC2C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939252