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((1S,2S)-2-azido-1-phenylcycloheptyl)(phenyl)methanone
SpectraBase Compound ID 3Z2AQVsRpPw
InChI InChI=1S/C20H21N3O/c21-23-22-18-14-8-3-9-15-20(18,17-12-6-2-7-13-17)19(24)16-10-4-1-5-11-16/h1-2,4-7,10-13,18H,3,8-9,14-15H2/t18-,20-/m0/s1
InChIKey MCLIUXVJHYLZEC-ICSRJNTNSA-N
Mol Weight 319.41 g/mol
Molecular Formula C20H21N3O
Exact Mass 319.168462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Vx9EBbKR2n
Name ((1S,2S)-2-azido-1-phenylcycloheptyl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O
InChI InChI=1S/C20H21N3O/c21-23-22-18-14-8-3-9-15-20(18,17-12-6-2-7-13-17)19(24)16-10-4-1-5-11-16/h1-2,4-7,10-13,18H,3,8-9,14-15H2/t18-,20-/m0/s1
InChIKey MCLIUXVJHYLZEC-ICSRJNTNSA-N
Literature Reference DOI 10.1039/c4cc04707a
Molecular Weight 319.408 g/mol
SMILES C1[C@](C(=O)c2ccccc2)(c2ccccc2)[C@](CCCC1)(N=[N+]=[N-])[H]
SPLASH splash10-0a4i-6900000000-a72a5579ec4eb3eb3f54
Source of Spectrum KD-50-10805/SMS12-2c
Wiley ID 1754800