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4,12-dimethylgeranylgeraniol
SpectraBase Compound ID 4H1Mcfzbjhr
InChI InChI=1S/C22H38O/c1-17(2)11-13-20(5)19(4)10-8-9-18(3)12-14-21(6)22(7)15-16-23/h10-12,15,20-21,23H,8-9,13-14,16H2,1-7H3/b18-12+,19-10+,22-15+/t20-,21-/m1/s1
InChIKey PHHTWBOBECZAFR-UTRMMPCNSA-N
Mol Weight 318.5 g/mol
Molecular Formula C22H38O
Exact Mass 318.292266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hf5ChoxWcCK
Name 4,12-dimethylgeranylgeraniol
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.292265843 u
Formula C22H38O
GC Oven Program Oven temp 140oC
InChI InChI=1S/C22H38O/c1-17(2)11-13-20(5)19(4)10-8-9-18(3)12-14-21(6)22(7)15-16-23/h10-12,15,20-21,23H,8-9,13-14,16H2,1-7H3/b18-12+,19-10+,22-15+/t20-,21-/m1/s1
InChIKey PHHTWBOBECZAFR-UTRMMPCNSA-N
Inlet Type Splitless
Ionization Type EI
Literature Reference DOI 10.1002/anie.201802116
Optical Rotation [a]27D = -16.0 (c = 0.13, CHCl3)
Reported Formula C22H38O
SMILES OC\C=C\([C@@](C\C=C\(CC\C=C\([C@@](CC=C(C)C)(C)[H])C)C)(C)[H])C
SPLASH splash10-067j-9520000000-7213ea8a3285393d0d59
Source of Spectrum ACI-57-SM9-4b (DOI: 10.1002/anie.201802116)
Wiley ID 1890989