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2-(Benzylamino)-5-heptadecyl-1,3,4-thiadiazole

View entire compound with spectra: 1 MS (GC)

2-(Benzylamino)-5-heptadecyl-1,3,4-thiadiazole
SpectraBase Compound ID HNiLDmWoFAA
InChI InChI=1S/C26H43N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-29-26(30-25)27-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,27,29)
InChIKey NFNNDIPGYOZPBL-UHFFFAOYSA-N
Mol Weight 429.7 g/mol
Molecular Formula C26H43N3S
Exact Mass 429.31777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELH0IvoHM2r
Name 2-(Benzylamino)-5-heptadecyl-1,3,4-thiadiazole
Alternate Name(s) N-benzyl-5-heptadecyl-1,3,4-thiadiazol-2-amine N-benzyl-N-(5-heptadecyl-1,3,4-thiadiazol-2-yl)amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H43N3S
InChI InChI=1S/C26H43N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-29-26(30-25)27-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,27,29)
InChIKey NFNNDIPGYOZPBL-UHFFFAOYSA-N
Molecular Weight 429.711 g/mol
SMILES N(c1sc(nn1)CCCCCCCCCCCCCCCCC)Cc1ccccc1
SPLASH splash10-052f-9070100000-01d5b7a31a52357ecc89
Source of Spectrum Y1-33-586-16
Wiley ID 1526261