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(2S,3E,8aR)-1-benzyl-3-benzylidene-2-isopropyl-4-methyl-2,5,6,7,8,8a-hexahydroquinoline
SpectraBase Compound ID 5CFTkqJTPzJ
InChI InChI=1S/C27H33N/c1-20(2)27-25(18-22-12-6-4-7-13-22)21(3)24-16-10-11-17-26(24)28(27)19-23-14-8-5-9-15-23/h4-9,12-15,18,20,26-27H,10-11,16-17,19H2,1-3H3/b25-18+/t26-,27+/m1/s1
InChIKey CSVVAQKNHHYEIB-GUNZGAIOSA-N
Mol Weight 371.6 g/mol
Molecular Formula C27H33N
Exact Mass 371.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCkoT5IpmNB
Name (2S,3E,8aR)-1-benzyl-3-benzylidene-2-isopropyl-4-methyl-2,5,6,7,8,8a-hexahydroquinoline
Alternate Name(s) (2S,3E,8aR)-1-benzyl-3-benzylidene-4-methyl-2-propan-2-yl-2,5,6,7,8,8a-hexahydroquinoline (2S,3E,8aR)-3-benzal-1-benzyl-2-isopropyl-4-methyl-2,5,6,7,8,8a-hexahydroquinoline (2S,3E,8aR)-4-methyl-1-(phenylmethyl)-3-(phenylmethylene)-2-propan-2-yl-2,5,6,7,8,8a-hexahydroquinoline (2S,3E,8aR)-4-methyl-1-(phenylmethyl)-3-(phenylmethylidene)-2-propan-2-yl-2,5,6,7,8,8a-hexahydroquinoline
Comments Less than 3 mono-isotopic peaks
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Formula C27H33N
InChI InChI=1S/C27H33N/c1-20(2)27-25(18-22-12-6-4-7-13-22)21(3)24-16-10-11-17-26(24)28(27)19-23-14-8-5-9-15-23/h4-9,12-15,18,20,26-27H,10-11,16-17,19H2,1-3H3/b25-18+/t26-,27+/m1/s1
InChIKey CSVVAQKNHHYEIB-GUNZGAIOSA-N
Molecular Weight 371.568 g/mol
SMILES [C@@]1(N([C@]2(C(=C(\C1=C\c1ccccc1)C)CCCC2)[H])Cc1ccccc1)(C(C)C)[H]
SPLASH splash10-004i-0009000000-c7b43da814208c541be2
Source of Spectrum F-68-7851-27
Wiley ID 1573492