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3-Buten-2-one, 4-(2-azido-1-hydroxy-2,6,6-trimethylcyclohexyl)-
SpectraBase Compound ID 8ExYP8FRxSy
InChI InChI=1S/C13H21N3O2/c1-10(17)6-9-13(18)11(2,3)7-5-8-12(13,4)15-16-14/h6,9,18H,5,7-8H2,1-4H3/b9-6+
InChIKey KHBALFVHQVLAEV-RMKNXTFCSA-N
Mol Weight 251.33 g/mol
Molecular Formula C13H21N3O2
Exact Mass 251.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMvFeq44n6e
Name 3-Buten-2-one, 4-(2-azido-1-hydroxy-2,6,6-trimethylcyclohexyl)-
CAS Registry Number 84113-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21N3O2
InChI InChI=1S/C13H21N3O2/c1-10(17)6-9-13(18)11(2,3)7-5-8-12(13,4)15-16-14/h6,9,18H,5,7-8H2,1-4H3/b9-6+
InChIKey KHBALFVHQVLAEV-RMKNXTFCSA-N
Molecular Weight 251.330 g/mol
SMILES OC1(\C=C\C(=O)C)C(N=[N+]=[N-])(CCCC1(C)C)C
SPLASH splash10-05oy-9400000000-861c01ee05717c071478
Source of Spectrum H-65-1622-0
Wiley ID 1254531