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3H-3a,6-Methanoazulen-9-one, 2-(bromomethyl)-4,5,6,7,8,8a-hexahydro-5,5-dimethyl-, (3a.alpha.,6.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID JPJ3yVwK2ST
InChI InChI=1S/C14H19BrO/c1-13(2)8-14-6-9(7-15)5-10(14)3-4-11(13)12(14)16/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11+,14+/m0/s1
InChIKey CNGXBPPRTBXXDT-MISXGVKJSA-N
Mol Weight 283.21 g/mol
Molecular Formula C14H19BrO
Exact Mass 282.061928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6u6Vgm7VAjR
Name 3H-3a,6-Methanoazulen-9-one, 2-(bromomethyl)-4,5,6,7,8,8a-hexahydro-5,5-dimethyl-, (3a.alpha.,6.alpha.,8a.alpha.)-(.+-.)-
Alternate Name(s) (1S+,5R+,8R+)-3-Hydroxymethyl-9,9-dimethyl-11-oxotricyclo[6.2.1.0(1,5)]undec-3-enyl bromide 3H-3a,6-Methanoazulen-9-one, 2-(bromomethyl)-4,5,6,7,8,8a-hexahydro-5,5-dimethyl-, (3a.alpha.,6.alpha.,8a.beta.)-(.+-.)- (1S+,5S+,8R+)-3-Hydroxymethyl-9,9-dimethyl-11-oxotricyclo[6.2.1.0(1,5)]undec-3-enyl bromide (1S,5S,8R)-3-(bromomethyl)-9,9-dimethyltricyclo[6.2.1.0(1,5)]undec-3-en-11-one Bromide 21 Bromide of 21
CAS Registry Number 89116-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19BrO
InChI InChI=1S/C14H19BrO/c1-13(2)8-14-6-9(7-15)5-10(14)3-4-11(13)12(14)16/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11+,14+/m0/s1
InChIKey CNGXBPPRTBXXDT-MISXGVKJSA-N
Molecular Weight 283.209 g/mol
SMILES [C@@]123C([C@]([H])(C(C3)(C)C)CC[C@]1(C=C(C2)CBr)[H])=O
SPLASH splash10-0f6x-8090000000-d66fe5358a75c9bc1833
Source of Spectrum F-39-3242-0
Wiley ID 1285660