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.zeta.,.beta.-Carotane (.beta.isorenieratane)

View entire compound with spectra: 1 MS (GC)

.zeta.,.beta.-Carotane (.beta.isorenieratane)
SpectraBase Compound ID INM9rJ3KGMp
InChI InChI=1S/C40H72/c1-30(18-13-20-32(3)23-27-38-35(6)26-25-34(5)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-36(7)22-15-29-40(39,9)10/h25-26,30-33,36,39H,11-24,27-29H2,1-10H3
InChIKey AMFUQTIHCWTHLE-UHFFFAOYSA-N
Mol Weight 553.0 g/mol
Molecular Formula C40H72
Exact Mass 552.563402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEUU5JjuCi5
Name .zeta.,.beta.-Carotane (.beta.isorenieratane)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H72
InChI InChI=1S/C40H72/c1-30(18-13-20-32(3)23-27-38-35(6)26-25-34(5)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-36(7)22-15-29-40(39,9)10/h25-26,30-33,36,39H,11-24,27-29H2,1-10H3
InChIKey AMFUQTIHCWTHLE-UHFFFAOYSA-N
Molecular Weight 553.016 g/mol
SMILES c1(c(c(C)ccc1C)C)CCC(CCCC(CCCCC(CCCC(CCC1C(CCCC1C)(C)C)C)C)C)C
SPLASH splash10-001i-1900000000-506d94d599123ea37b45
Source of Spectrum AT-38-8416-6
Wiley ID 854073