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(4aS,5S,8aS)-6-ethylidene-1,1,4a-trimethyl-5-(4,8,12-trimethyltrideca-3,7,11-trienyl)decalin
SpectraBase Compound ID KLT4eN5qpJS
InChI InChI=1S/C31H52/c1-9-27-20-21-29-30(6,7)22-13-23-31(29,8)28(27)19-12-18-26(5)17-11-16-25(4)15-10-14-24(2)3/h9,14,16,18,28-29H,10-13,15,17,19-23H2,1-8H3/t28-,29-,31+/m0/s1
InChIKey KQIXYMGNAPJVAC-GSBZAIBZSA-N
Mol Weight 424.8 g/mol
Molecular Formula C31H52
Exact Mass 424.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eMVpI2S0W
Name (4aS,5S,8aS)-6-ethylidene-1,1,4a-trimethyl-5-(4,8,12-trimethyltrideca-3,7,11-trienyl)decalin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.406901674 u
Formula C31H52
InChI InChI=1S/C31H52/c1-9-27-20-21-29-30(6,7)22-13-23-31(29,8)28(27)19-12-18-26(5)17-11-16-25(4)15-10-14-24(2)3/h9,14,16,18,28-29H,10-13,15,17,19-23H2,1-8H3/t28-,29-,31+/m0/s1
InChIKey KQIXYMGNAPJVAC-GSBZAIBZSA-N
Instrument Name JEOL SX 100/JMS-Q1000 GC K9
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800010
Molecular Weight 424.757 g/mol
Quality 465
SMILES C1C[C@]2([C@](C(C1)(C)C)(CCC([C@@]2(CCC=C(C)CCC=C(CCC=C(C)C)C)[H])=CC)[H])C
SPLASH splash10-0639-6911500000-615e559d9152fc286dc2
Source of Spectrum K1-2018-SM41-38 (DOI: 10.1002/ejoc.201800010)
Wiley ID 1893945