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C16 Deuterated cleavamine

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C16 Deuterated cleavamine
SpectraBase Compound ID 33kAJX3jCy2
InChI InChI=1S/C30H38N2O4/c1-3-23(30-35-15-16-36-30)17-22-18-26(29(33)34-2)28-25(24-11-7-8-12-27(24)31-28)13-14-32(20-22)19-21-9-5-4-6-10-21/h4-12,22-23,26,30-31H,3,13-20H2,1-2H3/t22-,23?,26-/m1/s1/i26D
InChIKey NEVLSYHERLVILB-RNZXBQAQSA-N
Mol Weight 491.7 g/mol
Molecular Formula C30H372DN2O4
Exact Mass 491.289434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6u3dPo88bpw
Name C16 Deuterated cleavamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H37DN2O4
InChI InChI=1S/C30H38N2O4/c1-3-23(30-35-15-16-36-30)17-22-18-26(29(33)34-2)28-25(24-11-7-8-12-27(24)31-28)13-14-32(20-22)19-21-9-5-4-6-10-21/h4-12,22-23,26,30-31H,3,13-20H2,1-2H3/t22-,23?,26-/m1/s1/i26D
InChIKey NEVLSYHERLVILB-RNZXBQAQSA-N
Molecular Weight 491.650 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](C[C@](CN(CC2)Cc1ccccc1)(CC(C1OCCO1)CC)[H])(C(=O)OC)[2D]
SPLASH splash10-006x-3490200000-5405060a26fa55f78455
Source of Spectrum KC-57-2088-8
Wiley ID 1623297