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7-Phenyl-1-(3'-isopropyl-5'-methylcyclohexyl)-2-hepten-1.alpha.-ol
SpectraBase Compound ID 48wr1dtrmqC
InChI InChI=1S/C23H36O/c1-18(2)21-15-19(3)16-22(17-21)23(24)14-10-5-4-7-11-20-12-8-6-9-13-20/h6,8-10,12-14,18-19,21-24H,4-5,7,11,15-17H2,1-3H3/b14-10+
InChIKey XQMDFNFOHPIORC-GXDHUFHOSA-N
Mol Weight 328.5 g/mol
Molecular Formula C23H36O
Exact Mass 328.276616 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HNDWeYPURLR
Name 7-Phenyl-1-(3'-isopropyl-5'-methylcyclohexyl)-2-hepten-1.alpha.-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.276615778 u
Formula C23H36O
InChI InChI=1S/C23H36O/c1-18(2)21-15-19(3)16-22(17-21)23(24)14-10-5-4-7-11-20-12-8-6-9-13-20/h6,8-10,12-14,18-19,21-24H,4-5,7,11,15-17H2,1-3H3/b14-10+
InChIKey XQMDFNFOHPIORC-GXDHUFHOSA-N
Molecular Weight 328.540 g/mol
SMILES C1(CC(C(C)C)CC(C1)C)C(\C=C\CCCCC1=CC=CC=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861589