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1-Phenanthrenecarboselenoic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, Se-phenyl ester, [1R-(1..alpha..,4a..beta..,4b.a

View entire compound with spectra: 1 MS (GC)

1-Phenanthrenecarboselenoic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, Se-phenyl ester, [1R-(1..alpha..,4a..beta..,4b.a
SpectraBase Compound ID 3iBuyTNLQXe
InChI InChI=1S/C26H34OSe/c1-18(2)19-11-13-22-20(17-19)12-14-23-25(22,3)15-8-16-26(23,4)24(27)28-21-9-6-5-7-10-21/h5-7,9-10,12,17-18,22-23H,8,11,13-16H2,1-4H3/t22?,23?,25-,26-/m1/s1
InChIKey HFNCHZWHAVNVKD-HHVQYONYSA-N
Mol Weight 441.5 g/mol
Molecular Formula C26H34OSe
Exact Mass 442.177488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiQcg8tnPF1
Name 1-Phenanthrenecarboselenoic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, Se-phenyl ester, [1R-(1..alpha..,4a..beta..,4b.a
Carrier Gas Helium (54.1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.177487714 u
Formula C26H34OSe
GC Column SH-Rxi-5silMS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C26H34OSe/c1-18(2)19-11-13-22-20(17-19)12-14-23-25(22,3)15-8-16-26(23,4)24(27)28-21-9-6-5-7-10-21/h5-7,9-10,12,17-18,22-23H,8,11,13-16H2,1-4H3/t22?,23?,25-,26-/m1/s1
InChIKey HFNCHZWHAVNVKD-HHVQYONYSA-N
Inlet Type Split ratio (50:05)
Instrument Name Shimadzu TQ8050 plus
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300332
Molecular Weight 441.529 g/mol
Quality 358
SMILES C1C[C@]2(C([C@@](C1)(C([Se]C1=CC=CC=C1)=O)C)CC=C1C2CCC(=C1)C(C)C)C
SPLASH splash10-0a4i-2490000000-4d45ca28bf044dca2daa
Source of Spectrum CBD-20-SM13-13-3 (DOI: 10.1002/cbdv.202300332)
Wiley ID 1909907