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4,8-Cyclododecadien-1-amine, 12-chloro-N-(phenylmethyl)-, (1R*,4E,8E,12R*)-
SpectraBase Compound ID 25t4a6NlfVv
InChI InChI=1S/C19H26ClN/c20-18-14-10-5-3-1-2-4-6-11-15-19(18)21-16-17-12-8-7-9-13-17/h3-9,12-13,18-19,21H,1-2,10-11,14-16H2/b5-3+,6-4+/t18-,19-/m1/s1
InChIKey ZPSGQNPTJOOWCQ-USXVXZQYSA-N
Mol Weight 303.88 g/mol
Molecular Formula C19H26ClN
Exact Mass 303.175378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEA28lWud5X
Name 4,8-Cyclododecadien-1-amine, 12-chloro-N-(phenylmethyl)-, (1R*,4E,8E,12R*)-
CAS Registry Number 72193-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26ClN
InChI InChI=1S/C19H26ClN/c20-18-14-10-5-3-1-2-4-6-11-15-19(18)21-16-17-12-8-7-9-13-17/h3-9,12-13,18-19,21H,1-2,10-11,14-16H2/b5-3+,6-4+/t18-,19-/m1/s1
InChIKey ZPSGQNPTJOOWCQ-USXVXZQYSA-N
Molecular Weight 303.877 g/mol
SMILES N([C@]1([C@](Cl)(CC\C=C\CC\C=C\CC1)[H])[H])Cc1ccccc1
SPLASH splash10-001l-4922000000-fd06a03f52cce730cdca
Source of Spectrum I-57-2934-0
Synonyms (1R,12R)-N-benzyl-12-chloro-4,8-cyclododecadien-1-amine 1.beta.-benzylamino-2.alpha.-chloro-trans,trans-5,9-cyclododecadiene N-benzyl-N-[(1R,12R)-12-chloro-4,8-cyclododecadien-1-yl]amine
Wiley ID 1305773