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Sabinyl oleate

View entire compound with spectra: 1 NMR, and 1 FTIR

Sabinyl oleate
SpectraBase Compound ID 7lOuiYC3E2R
InChI InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-28(23(2)3)21-25(28)24(26)4/h12-13,23,25-26H,4-11,14-22H2,1-3H3/b13-12-
InChIKey MBRSRCRLCFCMQD-SEYXRHQNSA-N
Mol Weight 416.7 g/mol
Molecular Formula C28H48O2
Exact Mass 416.365431 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7Th4I2ZPy09
Name Sabinyl oleate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.365430784 u
Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-28(23(2)3)21-25(28)24(26)4/h12-13,23,25-26H,4-11,14-22H2,1-3H3/b13-12-
InChIKey MBRSRCRLCFCMQD-SEYXRHQNSA-N
Molecular Weight 416.690 g/mol
SMILES C(CCCCCCC\C=C/CCCCCCCC)(=O)OC1CC2(CC2C1=C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971592