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Citrost-8(14)-en-3.beta.-ol

View entire compound with spectra: 1 FTIR

Citrost-8(14)-en-3.beta.-ol
SpectraBase Compound ID 7O4KjcoHdPi
InChI InChI=1S/C30H52O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-22,24-25,27-28,31H,8-18H2,1-7H3
InChIKey UTQZZSAFUHSAHM-UHFFFAOYSA-N
Mol Weight 428.7 g/mol
Molecular Formula C30H52O
Exact Mass 428.401816 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GjiMbQn9Mty
Name Citrost-8(14)-en-3.beta.-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.401816293 u
Formula C30H52O
InChI InChI=1S/C30H52O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-22,24-25,27-28,31H,8-18H2,1-7H3
InChIKey UTQZZSAFUHSAHM-UHFFFAOYSA-N
Molecular Weight 428.745 g/mol
SMILES C1(CCC2(C(C1C)CCC=1C2CCC2(C1CCC2C(CCC(C(C)C)CC)C)C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930067