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trans-1-(benzoylamino)-4-chlorocycloheptane
SpectraBase Compound ID Lia9O1GdTik
InChI InChI=1S/C14H18ClNO/c15-12-7-4-8-13(10-9-12)16-14(17)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)/t12-,13-/m1/s1
InChIKey OGDDBYRQMWHPGK-CHWSQXEVSA-N
Mol Weight 251.76 g/mol
Molecular Formula C14H18ClNO
Exact Mass 251.107692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBPcJYpE2H4
Name trans-1-(benzoylamino)-4-chlorocycloheptane
CAS Registry Number 95687-93-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18ClNO
InChI InChI=1S/C14H18ClNO/c15-12-7-4-8-13(10-9-12)16-14(17)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)/t12-,13-/m1/s1
InChIKey OGDDBYRQMWHPGK-CHWSQXEVSA-N
Molecular Weight 251.757 g/mol
SMILES N(C(=O)c1ccccc1)[C@]1(CC[C@](Cl)(CCC1)[H])[H]
SPLASH splash10-0ab9-2910000000-0506740108d08cb60c1e
Source of Spectrum J-50-1822-0
Synonyms N-[(1R,4R)-4-chlorocycloheptyl]benzamide
Wiley ID 1254553