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Ethyl 2-{(S)-2-[(3R,3aR,7S,7aR)-Octahydro-7-hydroxy-3a-methyl-1H-inden-3-yl]propyl}-2H-tetrazole-5-carboxylate
SpectraBase Compound ID LNIRQt40DB
InChI InChI=1S/C17H28N4O3/c1-4-24-16(23)15-18-20-21(19-15)10-11(2)12-7-8-13-14(22)6-5-9-17(12,13)3/h11-14,22H,4-10H2,1-3H3/t11-,12-,13+,14+,17-/m1/s1
InChIKey VUMBYPAYWYBKNZ-NLIDSEJHSA-N
Mol Weight 336.44 g/mol
Molecular Formula C17H28N4O3
Exact Mass 336.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtTXqu2lFir
Name Ethyl 2-{(S)-2-[(3R,3aR,7S,7aR)-Octahydro-7-hydroxy-3a-methyl-1H-inden-3-yl]propyl}-2H-tetrazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28N4O3
InChI InChI=1S/C17H28N4O3/c1-4-24-16(23)15-18-20-21(19-15)10-11(2)12-7-8-13-14(22)6-5-9-17(12,13)3/h11-14,22H,4-10H2,1-3H3/t11-,12-,13+,14+,17-/m1/s1
InChIKey VUMBYPAYWYBKNZ-NLIDSEJHSA-N
Molecular Weight 336.436 g/mol
SMILES O[C@@]1([C@]2([C@@]([C@@]([C@@](C[n]3nc(nn3)C(=O)OCC)(C)[H])(CC2)[H])(CCC1)C)[H])[H]
SPLASH splash10-000i-0319000000-3196a9f66fd0a45d76ad
Source of Spectrum F4-43-3890-11
Wiley ID 1706651