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(1S,2S,7S,8aS)-2-(Benzoyloxy)-7-(4-hexyl-1H-1,2,3-triazol-1-yl)octahydro-1-indolizinyl benzoate
SpectraBase Compound ID IfHsKbnJfAr
InChI InChI=1S/C30H36N4O4/c1-2-3-4-8-13-23-21-34(32-31-23)24-16-18-33-19-17-28(26(33)20-24)38-30(36)25-14-9-10-15-27(25)37-29(35)22-11-6-5-7-12-22/h5-7,9-12,14-15,21,24,26,28H,2-4,8,13,16-20H2,1H3/t24-,26-,28-/m0/s1
InChIKey BSRQABVDMYWWJM-MPYJOUPCSA-N
Mol Weight 516.6 g/mol
Molecular Formula C30H36N4O4
Exact Mass 516.273656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2S5gDFrg5f9
Name (1S,2S,7S,8aS)-2-(Benzoyloxy)-7-(4-hexyl-1H-1,2,3-triazol-1-yl)octahydro-1-indolizinyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36N4O4
InChI InChI=1S/C30H36N4O4/c1-2-3-4-8-13-23-21-34(32-31-23)24-16-18-33-19-17-28(26(33)20-24)38-30(36)25-14-9-10-15-27(25)37-29(35)22-11-6-5-7-12-22/h5-7,9-12,14-15,21,24,26,28H,2-4,8,13,16-20H2,1H3/t24-,26-,28-/m0/s1
InChIKey BSRQABVDMYWWJM-MPYJOUPCSA-N
Molecular Weight 516.642 g/mol
SMILES c1[n](nnc1CCCCCC)[C@@]1(C[C@]2([C@@](OC(c3c(OC(=O)c4ccccc4)cccc3)=O)(CCN2CC1)[H])[H])[H]
SPLASH splash10-00di-0900000000-9166fab2e810e149da99
Source of Spectrum F-67-9561-a
Wiley ID 1691366