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trans-1-Benzyl-3-methoxy-5-nonyl-2,5-dihydro-1H-pyrrole
SpectraBase Compound ID BjnY68wqYnC
InChI InChI=1S/C27H37NO/c1-3-4-5-6-7-8-15-20-25-21-26(29-2)27(24-18-13-10-14-19-24)28(25)22-23-16-11-9-12-17-23/h9-14,16-19,21,25,27H,3-8,15,20,22H2,1-2H3/t25-,27-/m1/s1
InChIKey WEMCSXNRWSPKLH-XNMGPUDCSA-N
Mol Weight 391.6 g/mol
Molecular Formula C27H37NO
Exact Mass 391.287515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41ZM0LCLDfq
Name trans-1-Benzyl-3-methoxy-5-nonyl-2,5-dihydro-1H-pyrrole
Appearance Light yellow oil
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Exact Mass 391.287514814 u
Formula C27H37NO
InChI InChI=1S/C27H37NO/c1-3-4-5-6-7-8-15-20-25-21-26(29-2)27(24-18-13-10-14-19-24)28(25)22-23-16-11-9-12-17-23/h9-14,16-19,21,25,27H,3-8,15,20,22H2,1-2H3/t25-,27-/m1/s1
InChIKey WEMCSXNRWSPKLH-XNMGPUDCSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800598
Molecular Weight 391.599 g/mol
Quality 53
Reported Formula C27H37NO
SMILES C1=C([C@](N([C@@]1(CCCCCCCCC)[H])CC1=CC=CC=C1)(C1=CC=CC=C1)[H])OC
SPLASH splash10-03di-3091000000-67beea2f5244ee5eb9c7
Sample Comments Minor isomer, cis/trans = 55:45
Source of Spectrum K1-2018-SM18-trans-20 (DOI: 10.1002/ejoc.201800598)
Wiley ID 1894201