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Sertraline

View entire compound with spectra: 1 FTIR, and 9 MS (GC)

Sertraline
SpectraBase Compound ID KoH5cGqo3wn
InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
InChIKey VGKDLMBJGBXTGI-SJCJKPOMSA-N
Mol Weight 306.24 g/mol
Molecular Formula C17H17Cl2N
Exact Mass 305.073805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYgvbcOvlFE
Name (1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine
Alternate Name(s) (1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthylamine (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine (1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine 1-Naphthalenamine, 1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-, (1S-cis)- Sertralina Sertraline Zoloft [(1S,4S)-4-(3,4-dichlorophenyl)tetralin-1-yl]-methyl-amine BRN 5753709 CP 51974 HSDB 7037
CAS Registry Number 79617-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17Cl2N
InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
InChIKey VGKDLMBJGBXTGI-SJCJKPOMSA-N
Molecular Weight 306.236 g/mol
SMILES N([C@]1(CC[C@@](c2ccc(c(c2)Cl)Cl)(c2c1cccc2)[H])[H])C
SPLASH splash10-00b9-2890000000-12a2765d1e99f6312a0d
Wiley ID 1509542